(1r,4r)-4-({5-ethyl-2,3-dimethylpyrazolo[1,5-a]pyrimidin-7-yl}amino)cyclohexan-1-ol

• ChemBase ID: 842342
• Molecular Formular: C16H24N4O
• Molecular Mass: 288.38796
• Monoisotopic Mass: 288.19501141
• SMILES: n12c(c(c(n2)C)C)nc(cc1N[C@@H]1CC[C@H](CC1)O)CC
• Canonical SMILES: CCc1cc(N[C@@H]2CC[C@H](CC2)O)n2c(n1)c(C)c(n2)C
• InChI: InChI=1S/C16H24N4O/c1-4-12-9-15(17-13-5-7-14(21)8-6-13)20-16(18-12)10(2)11(3)19-20/h9,13-14,17,21H,4-8H2,1-3H3/t13-,14-
• InChIKey: SGDXOBBFGZXKGH-HDJSIYSDSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (1r,4r)-4-({5-ethyl-2,3-dimethylpyrazolo[1,5-a]pyrimidin-7-yl}amino)cyclohexan-1-ol
• IUPAC Traditional name: (1r,4r)-4-({5-ethyl-2,3-dimethylpyrazolo[1,5-a]pyrimidin-7-yl}amino)cyclohexan-1-ol
• Synonyms: trans-4-[(5-ethyl-2,3-dimethylpyrazolo[1,5-a]pyrimidin-7-yl)amino]cyclohexanol

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.256571
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): 2.1039703
• LogD (pH = 7.4): 2.1042874
• Log P: 2.1042914
• Molar Refractivity: 94.7555 cm^3
• Polarizability: 31.589996 Å^3
• Polar Surface Area: 62.45 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 2
• Log P: 2.81
• LOG S: -3.7
• Polar Surface Area: 62.45 Å^2
• Rotatable Bonds: 3