Lumazine (CHEM025903)

Record Information
Version1.0
Creation Date2016-05-25 22:40:20 UTC
Update Date2026-08-23 10:30:10 UTC
Accession NumberCHEM025903
Identification
Common NameLumazine
ClassSmall Molecule
Description
A 2,4-dihydroxypteridine.
Contaminant Sources
  • FooDB Chemicals
Contaminant TypeNot Available
Chemical Structure
MOLSDFPDBSMILESInChI
Synonyms
ValueSource
1H,3H-Pteridine-2,4-dioneChEBI
2,4(3H,8H)-PteridinedioneChEBI
2,4-DihydroxypteridineChEBI
Pteridine-2,4-dioneChEBI
2,4-PteridinedioneMeSH
Chemical FormulaC6H4N4O2
Average Molecular Mass164.122 g/mol
Monoisotopic Mass164.033 g/mol
CAS Registry NumberNot Available
IUPAC Name2,3,4,8-tetrahydropteridine-2,4-dione
Traditional Name2,4(3H,8H)-pteridinedione
SMILESO=C1NC(=O)C2=NC=CNC2=N1
InChI IdentifierInChI=1S/C6H4N4O2/c11-5-3-4(8-2-1-7-3)9-6(12)10-5/h1-2H,(H2,8,9,10,11,12)
InChI KeyUYEUUXMDVNYCAM-UHFFFAOYSA-N
Chemical Taxonomy
Description Belongs to the class of organic compounds known as pteridines and derivatives. These are polycyclic aromatic compounds containing a pteridine moiety, which consists of a pyrimidine fused to a pyrazine ring to form pyrimido(4,5-b)pyrazine.
KingdomOrganic compounds
Super ClassOrganoheterocyclic compounds
ClassPteridines and derivatives
Sub ClassNot Available
Direct ParentPteridines and derivatives
Alternative Parents
Substituents
  • Pteridine
  • Pyrimidone
  • Pyrazine
  • Pyrimidine
  • Vinylogous amide
  • Heteroaromatic compound
  • Lactam
  • Urea
  • Azacycle
  • Organic oxide
  • Organopnictogen compound
  • Organic oxygen compound
  • Organic nitrogen compound
  • Organooxygen compound
  • Organonitrogen compound
  • Hydrocarbon derivative
  • Aromatic heteropolycyclic compound
Molecular FrameworkAromatic heteropolycyclic compounds
External Descriptors
Biological Properties
StatusDetected and Not Quantified
OriginNot Available
Cellular LocationsNot Available
Biofluid LocationsNot Available
Tissue LocationsNot Available
PathwaysNot Available
ApplicationsNot Available
Biological RolesNot Available
Chemical RolesNot Available
Physical Properties
StateNot Available
AppearanceNot Available
Experimental Properties
PropertyValue
Melting PointNot Available
Boiling PointNot Available
SolubilityNot Available
Predicted Properties
PropertyValueSource
Water Solubility3.66 g/LALOGPS
logP-1.5ALOGPS
logP-0.83ChemAxon
logS-1.6ALOGPS
pKa (Strongest Acidic)6.96ChemAxon
pKa (Strongest Basic)-1ChemAxon
Physiological Charge-1ChemAxon
Hydrogen Acceptor Count5ChemAxon
Hydrogen Donor Count2ChemAxon
Polar Surface Area82.92 ŲChemAxon
Rotatable Bond Count0ChemAxon
Refractivity37.89 m³·mol⁻¹ChemAxon
Polarizability13.82 ųChemAxon
Number of Rings2ChemAxon
BioavailabilityYesChemAxon
Rule of FiveYesChemAxon
Ghose FilterNoChemAxon
Veber's RuleNoChemAxon
MDDR-like RuleNoChemAxon
Spectra
Spectra
Toxicity Profile
Route of ExposureNot Available
Mechanism of ToxicityNot Available
MetabolismNot Available
Toxicity ValuesNot Available
Lethal DoseNot Available
Carcinogenicity (IARC Classification)Not Available
Uses/SourcesNot Available
Minimum Risk LevelNot Available
Health EffectsNot Available
SymptomsNot Available
TreatmentNot Available
Concentrations
Not Available
External Links
DrugBank IDNot Available
HMDB IDHMDB0254198
FooDB IDFDB005597
Phenol Explorer IDNot Available
KNApSAcK IDC00019640
BiGG IDNot Available
BioCyc IDCPD-15309
METLIN IDNot Available
PDB IDNot Available
Wikipedia LinkNot Available
Chemspider ID9832
ChEBI ID16489
PubChem Compound IDNot Available
Kegg Compound IDC03212
YMDB IDNot Available
ECMDB IDNot Available
References
Synthesis ReferenceNot Available
MSDSNot Available
General References
1. https://www.ncbi.nlm.nih.gov/pubmed/?term=12043000
2. https://www.ncbi.nlm.nih.gov/pubmed/?term=23501728