5-methyl-N-(1,2,2,6,6-pentamethylpiperidin-4-yl)pyrimidin-2-amine

• ChemBase编号: 783272
• 分子式: C15H26N4
• 平均质量: 262.39374
• 单一同位素质量: 262.21574685
• SMILES: N1(C(CC(CC1(C)C)Nc1ncc(cn1)C)(C)C)C
• Canonical SMILES: Cc1cnc(nc1)NC1CC(C)(C)N(C(C1)(C)C)C
• InChI: InChI=1S/C15H26N4/c1-11-9-16-13(17-10-11)18-12-7-14(2,3)19(6)15(4,5)8-12/h9-10,12H,7-8H2,1-6H3,(H,16,17,18)
• InChIKey: KZLRLHLNSXPOAW-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 5-methyl-N-(1,2,2,6,6-pentamethylpiperidin-4-yl)pyrimidin-2-amine
• IUPAC传统名: 5-methyl-N-(1,2,2,6,6-pentamethylpiperidin-4-yl)pyrimidin-2-amine
• 别名: 5-methyl-N-(1,2,2,6,6-pentamethylpiperidin-4-yl)pyrimidin-2-amine

理论计算性质

JChem

• Acid pKa: 15.767128
• 质子受体: 4
• 质子供体: 1
• LogD (pH = 5.5): -1.2738856
• LogD (pH = 7.4): -0.06764935
• Log P: 2.1358304
• 摩尔折射率: 81.4684 cm^3
• 极化性: 30.661516 Å^3
• 极化表面积: 41.05 Å^2
• 可自由旋转的化学键: 2
• 里宾斯基五规则: true

Provided by Chembridge

• 质子受体: 3
• 质子供体: 1
• Log P: 3.34
• LOG S: -2.96
• 极化表面积: 41.05 Å^2
• 可自由旋转的化学键: 2