Record Information
Version 1.0
Update Date 1/22/2018 11:54:54 AM
Metabolite IDPAMDB110300
Identification
Name: pteridine-ring
Description:Not Available
Structure
Thumb
Synonyms:Not Available
Chemical Formula: C6H4N4
Average Molecular Weight: 132.12
Monoisotopic Molecular Weight: Not Available
InChI Key: Not Available
InChI:Not Available
CAS number: Not Available
IUPAC Name:Not Available
Traditional IUPAC Name: Not Available
SMILES:C1(C=NC2(C=NC=NC(N=1)=2))
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
  • Pyrimidine
  • Pyrazine
  • Heteroaromatic compound
  • Azacycle
  • Organic nitrogen compound
  • Organopnictogen compound
  • Hydrocarbon derivative
  • Organonitrogen compound
  • Aromatic heteropolycyclic compound
Molecular Framework Aromatic heteropolycyclic compounds
External Descriptors
  • mancude organic heterobicyclic parent, pteridines, azaarene, ortho-fused heteroarene (CHEBI:27601)
  • a ring (PTERIDINE-RING)
Physical Properties
State: Not Available
Charge:Not Available
Melting point: Not Available
Experimental Properties: Not Available
Predicted Properties
PropertyValueSource
Mass132.1229ChemAxon
logP0.4198ChemAxon
H-bond acceptors4ChemAxon
H-bond donors0ChemAxon
Rotatable bonds0ChemAxon
PSA51.5600ChemAxon
RO5 violations0ChemAxon
RO3 violations1ChemAxon
Refractivity35.1280ChemAxon
Atoms14ChemAxon
Rings2ChemAxon
Heavy atoms10ChemAxon
Hydrogen atoms4ChemAxon
Heteroatoms4ChemAxon
N/O atoms4ChemAxon
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:
Pathways:
    Spectra
    Spectra: Not Available
    References
    References: Not Available
    Synthesis Reference: Not Available
    Material Safety Data Sheet (MSDS) Not Available
    External Links:
    ResourceLink
    PseudoCycPTERIDINE-RING