N-cyclohexyl-2-methyl-N-(pyridin-2-ylmethyl)imidazo[1,2-a]pyrimidine-3-carboxamide

• ChemBase编号: 334380
• 分子式: C20H23N5O
• 平均质量: 349.42952
• 单一同位素质量: 349.19026038
• SMILES: c1(C(=O)N(Cc2ncccc2)C2CCCCC2)n2c(nc1C)nccc2
• Canonical SMILES: Cc1nc2n(c1C(=O)N(C1CCCCC1)Cc1ccccn1)cccn2
• InChI: InChI=1S/C20H23N5O/c1-15-18(24-13-7-12-22-20(24)23-15)19(26)25(17-9-3-2-4-10-17)14-16-8-5-6-11-21-16/h5-8,11-13,17H,2-4,9-10,14H2,1H3
• InChIKey: HMCPCEFVRVGHGK-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: N-cyclohexyl-2-methyl-N-(pyridin-2-ylmethyl)imidazo[1,2-a]pyrimidine-3-carboxamide
• IUPAC传统名: N-cyclohexyl-2-methyl-N-(pyridin-2-ylmethyl)imidazo[1,2-a]pyrimidine-3-carboxamide
• 别名: N-cyclohexyl-2-methyl-N-(pyridin-2-ylmethyl)imidazo[1,2-a]pyrimidine-3-carboxamide

理论计算性质

JChem

• 质子受体: 4
• 质子供体: 0
• LogD (pH = 5.5): 1.5264668
• LogD (pH = 7.4): 1.5439736
• Log P: 1.5442017
• 摩尔折射率: 101.0781 cm^3
• 极化性: 37.869026 Å^3
• 极化表面积: 63.39 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: 2.12
• LOG S: -2.26
• 极化表面积: 63.39 Å^2
• 可自由旋转的化学键: 4