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

• ChemBase ID: 459254
• Molecular Formular: C19H24N6
• Molecular Mass: 336.43406
• Monoisotopic Mass: 336.2062448
• SMILES: c12c(c(nc(n1)CCC)NC(C1CC1)c1nc(ccc1)C)cnn2C
• Canonical SMILES: CCCc1nc(NC(c2cccc(n2)C)C2CC2)c2c(n1)n(C)nc2
• InChI: InChI=1S/C19H24N6/c1-4-6-16-22-18(14-11-20-25(3)19(14)23-16)24-17(13-9-10-13)15-8-5-7-12(2)21-15/h5,7-8,11,13,17H,4,6,9-10H2,1-3H3,(H,22,23,24)
• InChIKey: MGANTVAIVLFIMO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.871319
• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): 3.2468226
• LogD (pH = 7.4): 3.3770235
• Log P: 3.3789277
• Molar Refractivity: 110.4779 cm^3
• Polarizability: 37.631405 Å^3
• Polar Surface Area: 68.52 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 2.59
• LOG S: -3.67
• Polar Surface Area: 68.52 Å^2
• Rotatable Bonds: 6