Record Information
Version 1.0
Update Date 1/22/2018 11:54:54 AM
Metabolite IDPAMDB110051
Identification
Name: 2,6-diamino-4-hydroxy-5-(N-methyl)formamidopyrimidine
Description:Not Available
Structure
Thumb
Synonyms:
  • N-(2,4-diamino-6-hydroxypyrimidin-5-yl)-N-methylformamide
Chemical Formula: C6H9N5O2
Average Molecular Weight: 183.0756245591
Monoisotopic Molecular Weight: 183.0756245591
InChI Key: CGWDNAFNQOBSCK-UHFFFAOYSA-N
InChI: InChI=1S/C6H9N5O2/c1-11(2-12)3-4(7)9-6(8)10-5(3)13/h2H,1H3,(H5,7,8,9,10,13)
CAS number: Not Available
IUPAC Name:Not Available
Traditional IUPAC Name: Not Available
SMILES:CN([CH]=O)C1(C(O)=NC(N)=NC(N)=1)
Chemical Taxonomy
Taxonomy DescriptionThis compound belongs to the class of organic compounds known as hydroxypyrimidines. These are organic compounds containing a hydroxyl group attached to a pyrimidine ring. Pyrimidine is a 6-membered ring consisting of four carbon atoms and two nitrogen centers at the 1- and 3- ring positions.
Kingdom Organic compounds
Super ClassOrganoheterocyclic compounds
Class Diazines
Sub ClassPyrimidines and pyrimidine derivatives
Direct Parent Hydroxypyrimidines
Alternative Parents
Substituents
  • Aminopyrimidine
  • Hydroxypyrimidine
  • Hydropyrimidine
  • Tertiary carboxylic acid amide
  • Heteroaromatic compound
  • Amino acid or derivatives
  • Carboxamide group
  • Azacycle
  • Carboxylic acid derivative
  • Organopnictogen compound
  • Primary amine
  • Organooxygen compound
  • Organonitrogen compound
  • Organic oxygen compound
  • Amine
  • Carbonyl group
  • Organic nitrogen compound
  • Organic oxide
  • Hydrocarbon derivative
  • Aromatic heteromonocyclic compound
Molecular Framework Aromatic heteromonocyclic compounds
External Descriptors
  • hydroxypyrimidine, aminopyrimidine, formamidopyrimidine (CHEBI:28643)
Physical Properties
State: Not Available
Charge:Not Available
Melting point: Not Available
Experimental Properties: Not Available
Predicted Properties
PropertyValueSource
Mass183.1685ChemAxon
logP0.7375ChemAxon
H-bond acceptors7ChemAxon
H-bond donors3ChemAxon
Rotatable bonds2ChemAxon
PSA118.3600ChemAxon
RO5 violations0ChemAxon
RO3 violations2ChemAxon
Refractivity47.6598ChemAxon
Atoms22ChemAxon
Rings1ChemAxon
Heavy atoms13ChemAxon
Hydrogen atoms9ChemAxon
Heteroatoms7ChemAxon
N/O atoms7ChemAxon
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
    PseudoCycCPD-16491