7-methyl-7H-purin-6-ol

• ChemBase ID: 110076
• Molecular Formular: C6H6N4O
• Molecular Mass: 150.13804
• Monoisotopic Mass: 150.05416083
• SMILES: Cn1cnc2c1c(O)ncn2
• Canonical SMILES: Cn1cnc2c1c(O)ncn2
• InChI: InChI=1S/C6H6N4O/c1-10-3-9-5-4(10)6(11)8-2-7-5/h2-3H,1H3,(H,7,8,11)
• InChIKey: CBQMKYHLDADRLN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 7-methyl-7H-purin-6-ol
• IUPAC Traditional name: 7-methyl-7H-purin-6-ol
• Synonyms: 6-HYDROXY-7-METHYLPURINE

Database IDs

• PubChem SID: 162106330
• PubChem CID: 66089

CALCULATED PROPERTIES

• Acid pKa: 12.644607
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 0.17500247
• LogD (pH = 7.4): 0.17555887
• Log P: 0.17556646
• Molar Refractivity: 40.396698 cm^3
• Polarizability: 14.615169 Å^3
• Polar Surface Area: 63.83 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

DETAILS

MP Biomedicals - 05213658

MP Biomedicals Rare Chemical collection