N,1,3,6-tetramethyl-N-[(3-methylpyridin-2-yl)methyl]-1H-pyrazolo[3,4-d]pyrimidin-4-amine

• ChemBase ID: 521733
• Molecular Formular: C16H20N6
• Molecular Mass: 296.3702
• Monoisotopic Mass: 296.17494467
• SMILES: c12c(c(nc(n2)C)N(Cc2ncccc2C)C)c(nn1C)C
• Canonical SMILES: Cc1nc(N(Cc2ncccc2C)C)c2c(n1)n(C)nc2C
• InChI: InChI=1S/C16H20N6/c1-10-7-6-8-17-13(10)9-21(4)15-14-11(2)20-22(5)16(14)19-12(3)18-15/h6-8H,9H2,1-5H3
• InChIKey: AMAAYSQAISVGBF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N,1,3,6-tetramethyl-N-[(3-methylpyridin-2-yl)methyl]-1H-pyrazolo[3,4-d]pyrimidin-4-amine
• IUPAC Traditional name: N,1,3,6-tetramethyl-N-[(3-methylpyridin-2-yl)methyl]pyrazolo[3,4-d]pyrimidin-4-amine
• Synonyms: N,1,3,6-tetramethyl-N-[(3-methyl-2-pyridinyl)methyl]-1H-pyrazolo[3,4-d]pyrimidin-4-amine

CALCULATED PROPERTIES

JChem

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): 2.3679461
• LogD (pH = 7.4): 2.5249119
• Log P: 2.5271459
• Molar Refractivity: 98.8387 cm^3
• Polarizability: 32.754143 Å^3
• Polar Surface Area: 59.73 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 1.16
• LOG S: -1.05
• Polar Surface Area: 59.73 Å^2
• Rotatable Bonds: 3