4-amino-1-[(2r,3r,4r,5r)-3-fluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one (CED0221405)

Record Information
Version1.0
Creation Date2026-08-25 10:17:51 UTC
Update Date2026-08-25 10:17:51 UTC
SynCED IDCED0221405
Secondary Accession Numbers
  • CHEM263235
Identification
Common Name4-amino-1-[(2r,3r,4r,5r)-3-fluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one
ClassSmall Molecule
Description
4-amino-1-[(2r,3r,4r,5r)-3-fluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one belongs to the pyrimidine 2'-deoxyribonucleosides, a subclass of pyrimidine nucleosides within the organic compounds. This compound has the chemical formula C9H12FN3O4 and an average molecular weight of 245.21 g/mol. It has been found in or released from one recorded source: Electrical & Electronic Equipment (X Ray Tubes).
Contaminant TypeNot Available
Chemical Structure
MOLSDFPDBSMILESInChI
SynonymsNot Available
Chemical FormulaC9H12FN3O4
Average Molecular Mass245.210 g/mol
Monoisotopic Mass245.081 g/mol
CAS Registry Number10212-20-1
IUPAC NameNot Available
Traditional NameNot Available
SMILESNot Available
InChI IdentifierInChI=1S/C9H12FN3O4/c10-6-7(15)4(3-14)17-8(6)13-2-1-5(11)12-9(13)16/h1-2,4,6-8,14-15H,3H2,(H2,11,12,16)/t4-,6-,7-,8-/m1/s1
InChI KeyNVZFZMCNALTPBY-XVFCMESISA-N
Chemical Taxonomy
ClassificationNot classified
Biological Properties
StatusDetected and Not Quantified
OriginNot Available
Cellular LocationsNot Available
Biofluid LocationsNot Available
Tissue LocationsNot Available
ApplicationsNot Available
Biological RolesNot Available
Chemical RolesNot Available
Organoleptic EffectsNot Available
Physical Properties
StateNot Available
AppearanceNot Available
Experimental Properties
PropertyValue
Melting PointNot Available
Boiling PointNot Available
SolubilityNot Available
Predicted PropertiesNot Available
Spectra
SpectraNot Available
Toxicity Profile
Toxicity Values
Toxicity ValueOrganismDose DescriptorRoute of ExposurePredicted or ExperimentalToxicity RatingReference
2855.0 Log mg/kg [1600:5100]RatLD50oralpredictedNot AvailableNot Available
Toxicity / Toxin ClassNot Available
Mechanism of ToxicityNot Available
Carcinogenicity (IARC Classification)Not Available
Minimum Risk LevelNot Available
SymptomsNot Available
TreatmentNot Available
Health Effects
Health EffectRelationshipDirectionDescriptionReference
Exposure Sources
Source IDSourceSectorReference
CEDs000540X Ray Tubes?X-ray tubes are devices used to produce X-rays for various applications, including medical imaging and industrial inspections.Electrical & Electronic EquipmentPubChem
CEDs000696Nanotechnology?Nanotechnology involves the manipulation of materials at the molecular or atomic level, typically within the range of 1 to 100 nanometers.Industrial manufacturing & chemical processingPubChem
Pathways
0 pathwaysPathway Source: PathBank

No pathways found

No metabolic pathways have been associated with this synthetic chemical

Targets
StructureProteinUniProt IDOrganismRelationshipDetails
CD99 antigen structureClick to view 3D structureCD99 antigenP14209HumansPredicted (SEA)
Prediction Confidence Score
0.403
Applicability Domain
0.403
Statistical Significance
3.80e-04
Supporting Reference Compounds
1
E-value
2.95827
Thymidine kinase structureClick to view 3D structureThymidine kinaseP0C0E6HHV-3Predicted (SEA)
Prediction Confidence Score
0.386
Applicability Domain
0.386
Statistical Significance
1.00e-05
Supporting Reference Compounds
1
E-value
0.0778492
Cytidine deaminase structureClick to view 3D structureCytidine deaminaseP32320HumansPredicted (SEA)
Prediction Confidence Score
0.36
Applicability Domain
0.396
Statistical Significance
7.00e-05
Supporting Reference Compounds
4
E-value
0.544945
Click to view 3D structureAdenosine kinaseP9WID4Mycobacterium tuberculosis (strain CDC 1551 / Oshkosh)Predicted (SEA)
Prediction Confidence Score
0.35
Applicability Domain
0.361
Statistical Significance
5.30e-04
Supporting Reference Compounds
2
E-value
4.12601
Ribonuclease pancreatic structureClick to view 3D structureRibonuclease pancreaticP61823Bos taurusPredicted (SEA)
Prediction Confidence Score
0.339
Applicability Domain
0.339
Statistical Significance
4.90e-04
Supporting Reference Compounds
1
E-value
3.81461
Adenosine kinase structureClick to view 3D structureAdenosine kinaseP55263HumansPredicted (SEA)
Prediction Confidence Score
0.335
Applicability Domain
0.386
Statistical Significance
0.0028
Supporting Reference Compounds
22
E-value
21.8756
Click to view 3D structureAdenosine receptor A1P25099Rattus norvegicusPredicted (SEA)
Prediction Confidence Score
0.326
Applicability Domain
0.339
Statistical Significance
0.0128
Supporting Reference Compounds
221
E-value
99.9584
Adenosine deaminase structureClick to view 3D structureAdenosine deaminaseP56658Bos taurusPredicted (SEA)
Prediction Confidence Score
0.322
Applicability Domain
0.339
Statistical Significance
0.0021
Supporting Reference Compounds
17
E-value
16.6597
Adenosine receptor A3 structureClick to view 3D structureAdenosine receptor A3P0DMS8HumansPredicted (SEA)
Prediction Confidence Score
0.32
Applicability Domain
0.35
Statistical Significance
0.018
Supporting Reference Compounds
391
E-value
139.895
Cytidine deaminase structureClick to view 3D structureCytidine deaminaseP56389Mus musculusPredicted (SEA)
Prediction Confidence Score
0.317
Applicability Domain
0.377
Statistical Significance
6.80e-04
Supporting Reference Compounds
5
E-value
5.29375
Click to view 3D structureAdenosine receptor A2aP30543Rattus norvegicusPredicted (SEA)
Prediction Confidence Score
0.316
Applicability Domain
0.328
Statistical Significance
0.0127
Supporting Reference Compounds
174
E-value
98.7128
Solute carrier family 28 member 3 structureClick to view 3D structureSolute carrier family 28 member 3Q9HAS3HumansPredicted (SEA)
Prediction Confidence Score
0.316
Applicability Domain
0.396
Statistical Significance
0.0012
Supporting Reference Compounds
3
E-value
9.10836
Adenosine receptor A1 structureClick to view 3D structureAdenosine receptor A1P30542HumansPredicted (SEA)
Prediction Confidence Score
0.312
Applicability Domain
0.328
Statistical Significance
0.0166
Supporting Reference Compounds
302
E-value
128.996
Click to view 3D structureAdenosine receptor A3P28647Rattus norvegicusPredicted (SEA)
Prediction Confidence Score
0.308
Applicability Domain
0.328
Statistical Significance
0.0081
Supporting Reference Compounds
71
E-value
62.7465
Click to view 3D structureAdenosine kinaseA5U4N0Mycobacterium tuberculosis (strain ATCC 25177 / H37Ra)Predicted (SEA)
Prediction Confidence Score
0.306
Applicability Domain
0.306
Statistical Significance
0.0026
Supporting Reference Compounds
1
E-value
20.3186
Adenosine receptor A2a structureClick to view 3D structureAdenosine receptor A2aP29274HumansPredicted (SEA)
Prediction Confidence Score
0.305
Applicability Domain
0.328
Statistical Significance
0.0211
Supporting Reference Compounds
303
E-value
164.106
Heat shock protein HSP 90-alpha structureClick to view 3D structureHeat shock protein HSP 90-alphaP07900HumansPredicted (SEA)
Prediction Confidence Score
0.3
Applicability Domain
0.328
Statistical Significance
0.008
Supporting Reference Compounds
109
E-value
62.1237
Endoplasmin structureClick to view 3D structureEndoplasminP14625HumansPredicted (SEA)
Prediction Confidence Score
0.3
Applicability Domain
0.328
Statistical Significance
0.0052
Supporting Reference Compounds
31
E-value
40.5594
Click to view 3D structureAdenosine receptor A1P47745Cavia porcellusPredicted (SEA)
Prediction Confidence Score
0.298
Applicability Domain
0.328
Statistical Significance
0.0057
Supporting Reference Compounds
38
E-value
44.3741
Equilibrative nucleoside transporter 1 structureClick to view 3D structureEquilibrative nucleoside transporter 1Q99808HumansPredicted (SEA)
Prediction Confidence Score
0.295
Applicability Domain
0.333
Statistical Significance
0.0027
Supporting Reference Compounds
10
E-value
20.8636
Click to view 3D structureAdenosine receptor A1Q60612Mus musculusPredicted (SEA)
Prediction Confidence Score
0.294
Applicability Domain
0.31
Statistical Significance
0.0055
Supporting Reference Compounds
51
E-value
42.8949
Click to view 3D structureAdenosine receptor A1P28190Bos taurusPredicted (SEA)
Prediction Confidence Score
0.291
Applicability Domain
0.328
Statistical Significance
0.0084
Supporting Reference Compounds
72
E-value
65.4712
Click to view 3D structureAdenosine receptor A1P49892Gallus gallusPredicted (SEA)
Prediction Confidence Score
0.291
Applicability Domain
0.313
Statistical Significance
0.0038
Supporting Reference Compounds
6
E-value
29.2713
Adenosine receptor A2b structureClick to view 3D structureAdenosine receptor A2bP29275HumansPredicted (SEA)
Prediction Confidence Score
0.289
Applicability Domain
0.322
Statistical Significance
0.0214
Supporting Reference Compounds
187
E-value
166.753
Adenosine kinase structureClick to view 3D structureAdenosine kinaseP9WID5Mycobacterium tuberculosis (strain ATCC 25618 / H37Rv)Predicted (SEA)
Prediction Confidence Score
0.288
Applicability Domain
0.313
Statistical Significance
0.0033
Supporting Reference Compounds
4
E-value
25.3788
Concentrations
Not Available
External Links
IdentifiersNot Available
References
Synthesis ReferenceNot Available
MSDSNot Available
General ReferencesNot Available