{[6-methyl-2-(piperidin-1-yl)pyrimidin-4-yl]methyl}(2-methylpropyl)amine

• ChemBase编号: 245064
• 分子式: C15H26N4
• 平均质量: 262.39374
• 单一同位素质量: 262.21574685
• SMILES: c1(nc(cc(n1)CNCC(C)C)C)N1CCCCC1
• Canonical SMILES: CC(CNCc1cc(C)nc(n1)N1CCCCC1)C
• InChI: InChI=1S/C15H26N4/c1-12(2)10-16-11-14-9-13(3)17-15(18-14)19-7-5-4-6-8-19/h9,12,16H,4-8,10-11H2,1-3H3
• InChIKey: POPLUSDUPRZKSG-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: {[6-methyl-2-(piperidin-1-yl)pyrimidin-4-yl]methyl}(2-methylpropyl)amine
• IUPAC传统名: {[6-methyl-2-(piperidin-1-yl)pyrimidin-4-yl]methyl}(2-methylpropyl)amine
• 别名: {[6-methyl-2-(piperidin-1-yl)pyrimidin-4-yl]methyl}(2-methylpropyl)amine

登记号

• MDL号: MFCD17384408
• PubChem SID: 164300974
• PubChem CID: 55114574

理论计算性质

• 质子受体: 4
• 质子供体: 1
• LogD (pH = 5.5): -0.19259281
• LogD (pH = 7.4): 1.4294682
• Log P: 2.7024255
• 摩尔折射率: 80.3004 cm^3
• 极化性: 30.656647 Å^3
• 极化表面积: 41.05 Å^2
• 可自由旋转的化学键: 5
• 里宾斯基五规则: true

分子性质

理化性质

• 疏水性(logP): 2.591

产品相关信息

• 纯度: 95%