2-amino-6-methylpteridine-4,7-diol

• ChemBase ID: 107915
• Molecular Formular: C7H7N5O2
• Molecular Mass: 193.16278
• Monoisotopic Mass: 193.05997449
• SMILES: Cc1nc2c(O)nc(N)nc2nc1O
• Canonical SMILES: Nc1nc(O)c2c(n1)nc(c(n2)C)O
• InChI: InChI=1S/C7H7N5O2/c1-2-5(13)10-4-3(9-2)6(14)12-7(8)11-4/h1H3,(H4,8,10,11,12,13,14)
• InChIKey: DYXQYFTUVSIKIG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-amino-6-methylpteridine-4,7-diol
• IUPAC Traditional name: 2-amino-6-methylpteridine-4,7-diol
• Synonyms: 2-AMINO-4,7-DIHYDROXY-6-METHYLPTERIDINE

Database IDs

• CAS Number: 712-38-9
• PubChem SID: 162089118
• PubChem CID: 345267

CALCULATED PROPERTIES

• Acid pKa: 10.031011
• H Acceptors: 7
• H Donor: 3
• LogD (pH = 5.5): 0.26358062
• LogD (pH = 7.4): 0.26342958
• Log P: 0.2635872
• Molar Refractivity: 49.5142 cm^3
• Polarizability: 17.826962 Å^3
• Polar Surface Area: 118.04 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

DETAILS

MP Biomedicals - 05205465

MP Biomedicals Rare Chemical collection