5-[(6-hydroxy-2,4-dioxo-1h-pyrimidin-5-yl)imino]-1,3-diazinane-2,4,6-trione (CED0313961)

Record Information

Version

1.0

Creation Date

2026-09-01 13:39:47 UTC

Update Date

2026-09-01 13:39:47 UTC

SynCED ID

CED0313961

Secondary Accession Numbers

CHEM359833

Identification

Common Name

5-[(6-hydroxy-2,4-dioxo-1h-pyrimidin-5-yl)imino]-1,3-diazinane-2,4,6-trione

Class

Small Molecule

Description

5-[(6-hydroxy-2,4-dioxo-1h-pyrimidin-5-yl)imino]-1,3-diazinane-2,4,6-trione is a chemical compound with the formula C8H5N5O6. It has an average molecular weight of 267.16 g/mol.

Contaminant Type

Not Available

Chemical Structure

MOL SDF PDB SMILES InChI

Synonyms

Not Available

Chemical Formula

C₈H₅N₅O₆

Average Molecular Mass

Not Available

Monoisotopic Mass

267.024 g/mol

CAS Registry Number

Not Available

IUPAC Name

Not Available

Traditional Name

Not Available

SMILES

C1(=C(NC(=O)NC1=O)O)N=C2C(=O)NC(=O)NC2=O

InChI Identifier

InChI=1S/C8H5N5O6/c14-3-1(4(15)11-7(18)10-3)9-2-5(16)12-8(19)13-6(2)17/h(H2,10,11,14,15,18)(H3,12,13,16,17,19)

InChI Key

MUMMBXDKKJEASE-UHFFFAOYSA-N

Chemical Taxonomy

Classification

Not classified

Biological Properties

Status

Detected and Not Quantified

Origin

Not Available

Cellular Locations

Not Available

Biofluid Locations

Not Available

Tissue Locations

Not Available

Applications

Not Available

Biological Roles

Not Available

Chemical Roles

Not Available

Organoleptic Effects

Not Available

Physical Properties

State

Not Available

Appearance

Not Available

Experimental Properties

Property	Value
Melting Point	Not Available
Boiling Point	Not Available
Solubility	Not Available

Predicted Properties

Not Available

Spectra

Not Available

Toxicity Profile

Toxicity Values

Toxicity Value	Organism	Dose Descriptor	Route of Exposure	Predicted or Experimental	Toxicity Rating	Reference
6543.0 Log mg/kg [3700:12000]	Rat	LD50	oral	predicted	Not Available	Not Available

Toxicity / Toxin Class

Not Available

Mechanism of Toxicity

Not Available

Carcinogenicity (IARC Classification)

Not Available

Minimum Risk Level

Not Available

Symptoms

Not Available

Treatment

Not Available

Health Effects

Health Effect	Relationship	Direction	Description	Reference

Exposure Sources

Source ID	Source	Sector	Reference
CEDs000511	Conductors Or Conductive Bodies Characterised By The Conductive Materials?Conductors, or conductive bodies, are materials that allow the flow of electrical current, typically made from metals such as copper, aluminum, or silver.	Electrical & Electronic Equipment	PubChem
CEDs000519	Electrodes?Electrodes, used in various electrical and electronic applications, can be a source of synthetic chemical contamination due to the materials from which they are constructed and the processes involved in their manufacturing.	Electrical & Electronic Equipment	PubChem
CEDs000696	Nanotechnology?Nanotechnology involves the manipulation of materials at the molecular or atomic level, typically within the range of 1 to 100 nanometers.	Industrial manufacturing & chemical processing	PubChem
CEDs000734	Coating Compositions?Coating compositions, which include paints, sealants, and varnishes, are formulated with a variety of synthetic chemicals such as solvents, resins, pigments, and additives.	Building & Construction	PubChem
CEDs000740	Paper?Paper production involves the processing of wood fibers and the use of various chemicals, which can lead to synthetic chemical contamination.	Paper, pulp & fiber products	PubChem
CEDs000744	Water, Wastewater, & Sewage Treatment?Water, wastewater, and sewage treatment processes are critical for managing and mitigating pollutants in water systems.	Wastewater, sanitation & biosolids	PubChem

Pathways

0 pathwaysPathway Source: PathBank

No pathways found

No metabolic pathways have been associated with this synthetic chemical

Targets

Structure	Protein	UniProt ID	Organism	Relationship	Details
Click to view 3D structure	Glycogen synthase kinase-3 beta	P49841	Humans	Predicted (SEA)	Prediction Confidence Score 0.189 Applicability Domain 0.22 Low confidence Statistical Significance 0.9364 Supporting Reference Compounds 1157 E-value 7290.11
Click to view 3D structure	Leucine-rich repeat serine/threonine-protein kinase 2	Q5S007	Humans	Predicted (SEA)	Prediction Confidence Score 0.181 Applicability Domain 0.222 Low confidence Statistical Significance 0.8756 Supporting Reference Compounds 336 E-value 6816.87
Click to view 3D structure	UDP-glucose 6-dehydrogenase	O70199	Rattus norvegicus	Predicted (SEA)	Prediction Confidence Score 0.179 Applicability Domain 0.179 Low confidence Statistical Significance 1.40e-04 Supporting Reference Compounds 1 E-value 1.08989
Click to view 3D structure	UDP-glucose 6-dehydrogenase	P0C0F4	Streptococcus pyogenes	Predicted (SEA)	Prediction Confidence Score 0.179 Applicability Domain 0.179 Low confidence Statistical Significance 1.40e-04 Supporting Reference Compounds 1 E-value 1.08989
Click to view 3D structure	D-amino-acid oxidase	P14920	Humans	Predicted (SEA)	Prediction Confidence Score 0.177 Applicability Domain 0.191 Low confidence Statistical Significance 0.1522 Supporting Reference Compounds 32 E-value 1184.87
Click to view 3D structure	D-amino-acid oxidase	O35078	Rattus norvegicus	Predicted (SEA)	Prediction Confidence Score 0.176 Applicability Domain 0.191 Low confidence Statistical Significance 0.0222 Supporting Reference Compounds 9 E-value 172.825
Click to view 3D structure	Hydroxyacid oxidase 1	I3LVF1	Sus scrofa	Predicted (SEA)	Prediction Confidence Score 0.174 Applicability Domain 0.174 Low confidence Statistical Significance 0.0065 Supporting Reference Compounds 1 E-value 50.602
Click to view 3D structure	Cyclin-dependent kinase 1	P06493	Humans	Predicted (SEA)	Prediction Confidence Score 0.174 Applicability Domain 0.214 Low confidence Statistical Significance 0.9482 Supporting Reference Compounds 715 E-value 7381.9
Click to view 3D structure	Cyclin-O	P22674	Humans	Predicted (SEA)	Prediction Confidence Score 0.169 Applicability Domain 0.169 Low confidence Statistical Significance 0.0168 Supporting Reference Compounds 1 E-value 131.02
Click to view 3D structure	Hydroxycarboxylic acid receptor 2	Q8TDS4	Humans	Predicted (SEA)	Prediction Confidence Score 0.168 Applicability Domain 0.193 Low confidence Statistical Significance 0.1503 Supporting Reference Compounds 21 E-value 1170.46
Click to view 3D structure	Receptor-type tyrosine-protein kinase FLT3	P36888	Humans	Predicted (SEA)	Prediction Confidence Score 0.167 Applicability Domain 0.184 Low confidence Statistical Significance 0.9751 Supporting Reference Compounds 1274 E-value 7591.23
Click to view 3D structure	Cyclin-dependent kinase 2	P24941	Humans	Predicted (SEA)	Prediction Confidence Score 0.165 Applicability Domain 0.214 Low confidence Statistical Significance 0.9749 Supporting Reference Compounds 1029 E-value 7589.75
Click to view 3D structure	Hydroxycarboxylic acid receptor 2	Q80Z39	Rattus norvegicus	Predicted (SEA)	Prediction Confidence Score 0.165 Applicability Domain 0.193 Low confidence Statistical Significance 0.0655 Supporting Reference Compounds 9 E-value 510.302
Click to view 3D structure	Poly [ADP-ribose] polymerase 1	P09874	Humans	Predicted (SEA)	Prediction Confidence Score 0.163 Applicability Domain 0.225 Low confidence Statistical Significance 0.863 Supporting Reference Compounds 146 E-value 6718.7
Click to view 3D structure	Aurora kinase A	O14965	Humans	Predicted (SEA)	Prediction Confidence Score 0.162 Applicability Domain 0.184 Low confidence Statistical Significance 0.9748 Supporting Reference Compounds 996 E-value 7588.9
Click to view 3D structure	Thymidine phosphorylase	P07650	Escherichia coli (strain K12)	Predicted (SEA)	Prediction Confidence Score 0.161 Applicability Domain 0.237 Low confidence Statistical Significance 2.10e-04 Supporting Reference Compounds 4 E-value 1.63483
Click to view 3D structure	Aurora kinase B	Q96GD4	Humans	Predicted (SEA)	Prediction Confidence Score 0.161 Applicability Domain 0.184 Low confidence Statistical Significance 0.9768 Supporting Reference Compounds 1017 E-value 7604.55
Click to view 3D structure	Carbonic anhydrase 12	O43570	Humans	Predicted (SEA)	Prediction Confidence Score 0.159 Applicability Domain 0.225 Low confidence Statistical Significance 0.8983 Supporting Reference Compounds 332 E-value 6993.51
Click to view 3D structure	Carbonic anhydrase 2	P00918	Humans	Predicted (SEA)	Prediction Confidence Score 0.158 Applicability Domain 0.175 Low confidence Statistical Significance 0.9448 Supporting Reference Compounds 472 E-value 7355.58
Click to view 3D structure	Carbonic anhydrase 1	P00915	Humans	Predicted (SEA)	Prediction Confidence Score 0.158 Applicability Domain 0.175 Low confidence Statistical Significance 0.9235 Supporting Reference Compounds 407 E-value 7189.45
Click to view 3D structure	Aurora kinase C	Q9UQB9	Humans	Predicted (SEA)	Prediction Confidence Score 0.158 Applicability Domain 0.184 Low confidence Statistical Significance 0.9099 Supporting Reference Compounds 138 E-value 7083.19
Click to view 3D structure	Heat shock factor protein 1	P38532	Mus musculus	Predicted (SEA)	Prediction Confidence Score 0.157 Applicability Domain 0.235 Low confidence Statistical Significance 0.8929 Supporting Reference Compounds 166 E-value 6951.23
Click to view 3D structure	Polyunsaturated fatty acid 5-lipoxygenase	P09917	Humans	Predicted (SEA)	Prediction Confidence Score 0.155 Applicability Domain 0.184 Low confidence Statistical Significance 0.9199 Supporting Reference Compounds 182 E-value 7161.35
Click to view 3D structure	Fibroblast growth factor receptor 1	P11362	Humans	Predicted (SEA)	Prediction Confidence Score 0.154 Applicability Domain 0.18 Low confidence Statistical Significance 0.9835 Supporting Reference Compounds 1010 E-value 7656.55
Click to view 3D structure	Cyclin-dependent kinase 5	Q00535	Humans	Predicted (SEA)	Prediction Confidence Score 0.153 Applicability Domain 0.158 Low confidence Statistical Significance 0.9834 Supporting Reference Compounds 779 E-value 7655.77