6-methyl-1H-pyrazolo[3,4-d]pyrimidin-4-amine

• ChemBase ID: 311466
• Molecular Formular: C6H7N5
• Molecular Mass: 149.15328
• Monoisotopic Mass: 149.07014525
• SMILES: c12c(c(nc(n1)C)N)cn[nH]2
• Canonical SMILES: Cc1nc(N)c2c(n1)[nH]nc2
• InChI: InChI=1S/C6H7N5/c1-3-9-5(7)4-2-8-11-6(4)10-3/h2H,1H3,(H3,7,8,9,10,11)
• InChIKey: BBEHITOHXPPLSS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-methyl-1H-pyrazolo[3,4-d]pyrimidin-4-amine
• IUPAC Traditional name: 6-methyl-1H-pyrazolo[3,4-d]pyrimidin-4-amine
• Synonyms: 6-methyl-1H-pyrazolo[3,4-d]pyrimidin-4-amine

Database IDs

• CAS Number: 5326-80-7
• MDL Number: MFCD02008690

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): 0.15581213
• LogD (pH = 7.4): 0.14804672
• Log P: 0.15672268
• Molar Refractivity: 42.3283 cm^3
• Polarizability: 15.105752 Å^3
• Polar Surface Area: 80.48 Å^2