4-cyclobutyl-N,6-dimethyl-N-(pyrazin-2-ylmethyl)pyrimidin-2-amine

• ChemBase编号: 769162
• 分子式: C15H19N5
• 平均质量: 269.34486
• 单一同位素质量: 269.16404563
• SMILES: c1(nc(cc(n1)C)C1CCC1)N(Cc1nccnc1)C
• Canonical SMILES: Cc1nc(nc(c1)C1CCC1)N(Cc1nccnc1)C
• InChI: InChI=1S/C15H19N5/c1-11-8-14(12-4-3-5-12)19-15(18-11)20(2)10-13-9-16-6-7-17-13/h6-9,12H,3-5,10H2,1-2H3
• InChIKey: IQXKPRLECYZAEQ-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 4-cyclobutyl-N,6-dimethyl-N-(pyrazin-2-ylmethyl)pyrimidin-2-amine
• IUPAC传统名: 4-cyclobutyl-N,6-dimethyl-N-(pyrazin-2-ylmethyl)pyrimidin-2-amine
• 别名: 4-cyclobutyl-N,6-dimethyl-N-(pyrazin-2-ylmethyl)pyrimidin-2-amine

理论计算性质

JChem

• 质子受体: 5
• 质子供体: 0
• LogD (pH = 5.5): 1.6391417
• LogD (pH = 7.4): 1.6935302
• Log P: 1.6942707
• 摩尔折射率: 78.0567 cm^3
• 极化性: 29.480595 Å^3
• 极化表面积: 54.8 Å^2
• 可自由旋转的化学键: 4
• 里宾斯基五规则: true

Provided by Chembridge

• 质子受体: 4
• 质子供体: 0
• Log P: 2.2
• LOG S: -3.04
• 极化表面积: 54.8 Å^2
• 可自由旋转的化学键: 4