(1-{[methyl({2,3,5-trimethylpyrazolo[1,5-a]pyrimidin-7-yl})amino]methyl}cyclobutyl)methanol

• ChemBase ID: 578295
• Molecular Formular: C16H24N4O
• Molecular Mass: 288.38796
• Monoisotopic Mass: 288.19501141
• SMILES: n12c(c(c(n2)C)C)nc(cc1N(CC1(CO)CCC1)C)C
• Canonical SMILES: OCC1(CCC1)CN(c1cc(C)nc2n1nc(c2C)C)C
• InChI: InChI=1S/C16H24N4O/c1-11-8-14(19(4)9-16(10-21)6-5-7-16)20-15(17-11)12(2)13(3)18-20/h8,21H,5-7,9-10H2,1-4H3
• InChIKey: WCJGGUDMMVEZQY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (1-{[methyl({2,3,5-trimethylpyrazolo[1,5-a]pyrimidin-7-yl})amino]methyl}cyclobutyl)methanol
• IUPAC Traditional name: (1-{[methyl({2,3,5-trimethylpyrazolo[1,5-a]pyrimidin-7-yl})amino]methyl}cyclobutyl)methanol
• Synonyms: (1-{[methyl(2,3,5-trimethylpyrazolo[1,5-a]pyrimidin-7-yl)amino]methyl}cyclobutyl)methanol

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.070607
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 1.9485202
• LogD (pH = 7.4): 1.9488407
• Log P: 1.9488448
• Molar Refractivity: 94.3955 cm^3
• Polarizability: 31.59014 Å^3
• Polar Surface Area: 53.66 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 2.49
• LOG S: -3.43
• Polar Surface Area: 53.66 Å^2
• Rotatable Bonds: 4