7,8-dihydrolumazine (PAMDB120251)

IdentificationTaxonomyPhysical PropertiesBiological PropertiesSpectraConcentrationsLinksReferencesEnzymes Transporters
Proteins (3280)
Record Information
Version 1.0
Update Date 1/22/2018 12:54:54 PM
Metabolite IDPAMDB120251
Identification
Name: 7,8-dihydrolumazine
Description:Not Available
Structure
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🔍MOLSDFPDBSMILESInChIView Structure
Synonyms:Not Available
Chemical Formula: C6H6N4O2
Average Molecular Weight: 166.139
Monoisotopic Molecular Weight: 166.04907
InChI Key: MYJNEEHZESREMO-UHFFFAOYSA-N
InChI:InChI=1S/C6H6N4O2/c11-5-3-4(8-2-1-7-3)9-6(12)10-5/h1H,2H2,(H3,8,9,10,11,12)
CAS number: Not Available
IUPAC Name:Not Available
Traditional IUPAC Name: Not Available
SMILES:C2(=O)(C1(=C(NCC=N1)NC(=O)N2))
Chemical Taxonomy
Taxonomy DescriptionThis compound 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.
Kingdom Organic compounds
Super ClassOrganoheterocyclic compounds
Class Pteridines and derivatives
Sub ClassNot Available
Direct Parent Pteridines and derivatives
Alternative Parents
Substituents
  • Pteridine
  • Pyrimidone
  • Secondary aliphatic/aromatic amine
  • Pyrimidine
  • Vinylogous amide
  • Heteroaromatic compound
  • Lactam
  • Urea
  • Organic 1,3-dipolar compound
  • Propargyl-type 1,3-dipolar organic compound
  • Secondary amine
  • Azacycle
  • Organic oxide
  • Organopnictogen compound
  • Organic oxygen compound
  • Organic nitrogen compound
  • Organooxygen compound
  • Organonitrogen compound
  • Amine
  • Imine
  • Hydrocarbon derivative
  • Aromatic heteropolycyclic compound
Molecular Framework Aromatic heteropolycyclic compounds
External Descriptors Not Available
Physical Properties
State: Not Available
Charge:0
Melting point: Not Available
Experimental Properties: Not Available
Predicted Properties
PropertyValueSource
Mass166.1377ChemAxon
logP-1.2354ChemAxon
H-bond acceptors6ChemAxon
H-bond donors3ChemAxon
Rotatable bonds0ChemAxon
PSA90.1100ChemAxon
RO5 violations0ChemAxon
RO3 violations2ChemAxon
Refractivity50.3451ChemAxon
Atoms18ChemAxon
Rings2ChemAxon
Heavy atoms12ChemAxon
Hydrogen atoms6ChemAxon
Heteroatoms6ChemAxon
N/O atoms6ChemAxon
Inorganic atoms0ChemAxon
Halogen atoms0ChemAxon
Chiral centers0ChemAxon
R/S chiral centers0ChemAxon
Unknown chiral centers0ChemAxon
Undefined chiral centers0ChemAxon
Stereo double bonds0ChemAxon
Cis/trans stereo double bonds0ChemAxon
Unknown stereo double bonds0ChemAxon
Undefined stereo double bonds 0ChemAxon
Biological Properties
Cellular Locations: Not Available
Reactions:
7,8-dihydropterin + Water + Hydrogen ion → 7,8-dihydrolumazine + Ammonium
Pathways:
    Spectra
    Spectra: Not Available
    References
    References: Not Available
    Synthesis Reference: Not Available
    Material Safety Data Sheet (MSDS) Not Available
    External Links:
    ResourceLink
    BioCycCPD-16458