N,2,5,6-tetramethyl-N-[(3-methylpyridin-4-yl)methyl]pyrimidin-4-amine

• ChemBase编号: 819776
• 分子式: C15H20N4
• 平均质量: 256.3461
• 单一同位素质量: 256.16879666
• SMILES: c1(c(c(nc(n1)C)C)C)N(Cc1c(cncc1)C)C
• Canonical SMILES: Cc1nc(C)c(c(n1)N(Cc1ccncc1C)C)C
• InChI: InChI=1S/C15H20N4/c1-10-8-16-7-6-14(10)9-19(5)15-11(2)12(3)17-13(4)18-15/h6-8H,9H2,1-5H3
• InChIKey: UGDASZSBMMQLKS-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: N,2,5,6-tetramethyl-N-[(3-methylpyridin-4-yl)methyl]pyrimidin-4-amine
• IUPAC传统名: N,2,5,6-tetramethyl-N-[(3-methylpyridin-4-yl)methyl]pyrimidin-4-amine
• 别名: N,2,5,6-tetramethyl-N-[(3-methylpyridin-4-yl)methyl]pyrimidin-4-amine

理论计算性质

JChem

• 质子受体: 4
• 质子供体: 0
• LogD (pH = 5.5): 1.5288349
• LogD (pH = 7.4): 2.9789321
• Log P: 3.0759175
• 摩尔折射率: 79.2184 cm^3
• 极化性: 29.108213 Å^3
• 极化表面积: 41.91 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: 2.64
• LOG S: -1.93
• 极化表面积: 41.91 Å^2
• 可自由旋转的化学键: 3