1-(4-cyclobutyl-6-methylpyrimidin-2-yl)-N,N-dimethylpyrrolidin-3-amine

• ChemBase编号: 822919
• 分子式: C15H24N4
• 平均质量: 260.37786
• 单一同位素质量: 260.20009679
• SMILES: c1(N2CC(CC2)N(C)C)nc(cc(n1)C)C1CCC1
• Canonical SMILES: Cc1nc(nc(c1)C1CCC1)N1CCC(C1)N(C)C
• InChI: InChI=1S/C15H24N4/c1-11-9-14(12-5-4-6-12)17-15(16-11)19-8-7-13(10-19)18(2)3/h9,12-13H,4-8,10H2,1-3H3
• InChIKey: XXBQYRPWNINKRS-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 1-(4-cyclobutyl-6-methylpyrimidin-2-yl)-N,N-dimethylpyrrolidin-3-amine
• IUPAC传统名: 1-(4-cyclobutyl-6-methylpyrimidin-2-yl)-N,N-dimethylpyrrolidin-3-amine
• 别名: 1-(4-cyclobutyl-6-methylpyrimidin-2-yl)-N,N-dimethylpyrrolidin-3-amine

理论计算性质

JChem

• 质子受体: 4
• 质子供体: 0
• LogD (pH = 5.5): -0.90454113
• LogD (pH = 7.4): 0.7039247
• Log P: 2.2905169
• 摩尔折射率: 78.8658 cm^3
• 极化性: 29.847637 Å^3
• 极化表面积: 32.26 Å^2
• 可自由旋转的化学键: 3
• 里宾斯基五规则: true

Provided by Chembridge

• 质子受体: 3
• 质子供体: 0
• Log P: 2.57
• LOG S: -2.29
• 极化表面积: 32.26 Å^2
• 可自由旋转的化学键: 3