N,N,2-trimethyl-6-(4-methylpiperidin-4-yl)pyrimidine-4-carboxamide

• ChemBase编号: 62122
• 分子式: C14H22N4O
• 平均质量: 262.35068
• 单一同位素质量: 262.17936134
• SMILES: c1(C(=O)N(C)C)nc(nc(c1)C1(CCNCC1)C)C
• Canonical SMILES: Cc1nc(cc(n1)C1(C)CCNCC1)C(=O)N(C)C
• InChI: InChI=1S/C14H22N4O/c1-10-16-11(13(19)18(3)4)9-12(17-10)14(2)5-7-15-8-6-14/h9,15H,5-8H2,1-4H3
• InChIKey: JSKNKWLJJZYTEF-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: N,N,2-trimethyl-6-(4-methylpiperidin-4-yl)pyrimidine-4-carboxamide
• IUPAC传统名: N,N,2-trimethyl-6-(4-methylpiperidin-4-yl)pyrimidine-4-carboxamide
• 别名: 2-Methyl-6-(4-methyl-piperidin-4-yl)-pyrimidine-4-carboxylic acid dimethylamide

登记号

• MDL号: MFCD18381784
• PubChem SID: 162027861
• PubChem CID: 66510025

理论计算性质

• 质子受体: 4
• 质子供体: 1
• LogD (pH = 5.5): -2.3335478
• LogD (pH = 7.4): -1.4555744
• Log P: 0.9975538
• 摩尔折射率: 75.3706 cm^3
• 极化性: 28.597614 Å^3
• 极化表面积: 58.12 Å^2
• 可自由旋转的化学键: 2
• 里宾斯基五规则: true

分子性质

安全信息

• 保存注意事项: IRRITANT
• TSCA收录: false