1-{5-ethyl-2,3-dimethylpyrazolo[1,5-a]pyrimidin-7-yl}piperidin-4-amine

• ChemBase ID: 576118
• Molecular Formular: C15H23N5
• Molecular Mass: 273.37662
• Monoisotopic Mass: 273.19534576
• SMILES: n12c(c(c(n2)C)C)nc(cc1N1CCC(CC1)N)CC
• Canonical SMILES: CCc1cc(N2CCC(CC2)N)n2c(n1)c(C)c(n2)C
• InChI: InChI=1S/C15H23N5/c1-4-13-9-14(19-7-5-12(16)6-8-19)20-15(17-13)10(2)11(3)18-20/h9,12H,4-8,16H2,1-3H3
• InChIKey: LUCUTELTGKNSPJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-{5-ethyl-2,3-dimethylpyrazolo[1,5-a]pyrimidin-7-yl}piperidin-4-amine
• IUPAC Traditional name: 1-{5-ethyl-2,3-dimethylpyrazolo[1,5-a]pyrimidin-7-yl}piperidin-4-amine
• Synonyms: 1-(5-ethyl-2,3-dimethylpyrazolo[1,5-a]pyrimidin-7-yl)piperidin-4-amine

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -1.4815983
• LogD (pH = 7.4): -0.9470739
• Log P: 1.5381829
• Molar Refractivity: 91.6884 cm^3
• Polarizability: 30.65202 Å^3
• Polar Surface Area: 59.45 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 1.88
• LOG S: -1.79
• Polar Surface Area: 59.45 Å^2
• Rotatable Bonds: 2