N-methyl-5H-purin-6-amine

• ChemBase ID: 110049
• Molecular Formular: C6H7N5
• Molecular Mass: 149.15328
• Monoisotopic Mass: 149.07014525
• SMILES: CNC1=NC=NC2=NC=NC12
• Canonical SMILES: CNC1=NC=NC2=NC=NC12
• InChI: InChI=1S/C6H7N5/c1-7-5-4-6(10-2-8-4)11-3-9-5/h2-4H,1H3,(H,7,8,9,10,11)
• InChIKey: HQGITIVQUQXZOM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-methyl-5H-purin-6-amine
• IUPAC Traditional name: N-methyl-5H-purin-6-amine
• Synonyms: 6-METHYLAMINOPURINE

Database IDs

• CAS Number: 443-72-1
• PubChem SID: 162095557
• PubChem CID: 408161

CALCULATED PROPERTIES

• Acid pKa: 11.791653
• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): -1.8641484
• LogD (pH = 7.4): -1.7923003
• Log P: -1.7911799
• Molar Refractivity: 38.9817 cm^3
• Polarizability: 14.41532 Å^3
• Polar Surface Area: 61.47 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

DETAILS

MP Biomedicals - 05213523

MP Biomedicals Rare Chemical collection