N,2,5,6-tetramethyl-N-{[1-(morpholin-4-yl)cyclohexyl]methyl}pyrimidin-4-amine

• ChemBase编号: 553031
• 分子式: C19H32N4O
• 平均质量: 332.48358
• 单一同位素质量: 332.25761166
• SMILES: c1(c(c(nc(n1)C)C)C)N(CC1(N2CCOCC2)CCCCC1)C
• Canonical SMILES: Cc1nc(C)c(c(n1)N(CC1(CCCCC1)N1CCOCC1)C)C
• InChI: InChI=1S/C19H32N4O/c1-15-16(2)20-17(3)21-18(15)22(4)14-19(8-6-5-7-9-19)23-10-12-24-13-11-23/h5-14H2,1-4H3
• InChIKey: SNAIARJSMNEHQF-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: N,2,5,6-tetramethyl-N-{[1-(morpholin-4-yl)cyclohexyl]methyl}pyrimidin-4-amine
• IUPAC传统名: N,2,5,6-tetramethyl-N-{[1-(morpholin-4-yl)cyclohexyl]methyl}pyrimidin-4-amine
• 别名: N,2,5,6-tetramethyl-N-[(1-morpholin-4-ylcyclohexyl)methyl]pyrimidin-4-amine

理论计算性质

JChem

• 质子受体: 5
• 质子供体: 0
• LogD (pH = 5.5): -0.14884607
• LogD (pH = 7.4): 2.7025874
• Log P: 3.2939708
• 摩尔折射率: 99.7189 cm^3
• 极化性: 37.82668 Å^3
• 极化表面积: 41.49 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: 3.07
• LOG S: -3.05
• 极化表面积: 41.49 Å^2
• 可自由旋转的化学键: 4