5-methyl-4-(piperidin-4-yl)pyrimidine

• ChemBase编号: 309885
• 分子式: C10H15N3
• 平均质量: 177.2462
• 单一同位素质量: 177.1265975
• SMILES: c1(ncncc1C)C1CCNCC1
• Canonical SMILES: Cc1cncnc1C1CCNCC1
• InChI: InChI=1S/C10H15N3/c1-8-6-12-7-13-10(8)9-2-4-11-5-3-9/h6-7,9,11H,2-5H2,1H3
• InChIKey: HWPYZDXFRRSULK-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 5-methyl-4-(piperidin-4-yl)pyrimidine
• IUPAC传统名: 5-methyl-4-(piperidin-4-yl)pyrimidine
• 别名: 5-methyl-4-(4-piperidinyl)pyrimidine

登记号

• MDL号: MFCD18381574

理论计算性质

• 质子受体: 3
• 质子供体: 1
• LogD (pH = 5.5): -2.4183054
• LogD (pH = 7.4): -1.6779954
• Log P: 0.7981049
• 摩尔折射率: 52.7866 cm^3
• 极化性: 20.230202 Å^3
• 极化表面积: 37.81 Å^2