8-N,8-N-dimethyl-9H-purine-6,8-diamine

• ChemBase ID: 187962
• Molecular Formular: C7H10N6
• Molecular Mass: 178.1945
• Monoisotopic Mass: 178.09669435
• SMILES: c1(nc2c([nH]1)ncnc2N)N(C)C
• Canonical SMILES: CN(c1nc2c([nH]1)ncnc2N)C
• InChI: InChI=1S/C7H10N6/c1-13(2)7-11-4-5(8)9-3-10-6(4)12-7/h3H,1-2H3,(H3,8,9,10,11,12)
• InChIKey: IJLZPLBXRPFQHT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 8-N,8-N-dimethyl-9H-purine-6,8-diamine
• IUPAC Traditional name: 8-N,8-N-dimethyl-9H-purine-6,8-diamine

Database IDs

• PubChem SID: 164243872
• PubChem CID: 776561

CALCULATED PROPERTIES

• Acid pKa: 10.547802
• H Acceptors: 5
• H Donor: 2
• LogD (pH = 5.5): 0.165181
• LogD (pH = 7.4): 0.25935295
• Log P: 0.26128113
• Molar Refractivity: 50.5012 cm^3
• Polarizability: 18.171755 Å^3
• Polar Surface Area: 83.72 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds