N,N,6-trimethyl-2-(pyrrolidin-3-yl)pyrimidin-4-amine dihydrochloride

• ChemBase编号: 62956
• 分子式: C11H20Cl2N4
• 平均质量: 279.2093
• 单一同位素质量: 278.10650202
• SMILES: n1c(nc(cc1N(C)C)C)C1CNCC1.Cl.Cl
• Canonical SMILES: Cc1cc(nc(n1)C1CNCC1)N(C)C.Cl.Cl
• InChI: InChI=1S/C11H18N4.2ClH/c1-8-6-10(15(2)3)14-11(13-8)9-4-5-12-7-9;;/h6,9,12H,4-5,7H2,1-3H3;2*1H
• InChIKey: IPGULRSAZVOHKP-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: N,N,6-trimethyl-2-(pyrrolidin-3-yl)pyrimidin-4-amine dihydrochloride
• IUPAC传统名: N,N,6-trimethyl-2-(pyrrolidin-3-yl)pyrimidin-4-amine dihydrochloride
• 别名: Dimethyl-(6-methyl-2-pyrrolidin-3-yl-pyrimidin-4-yl)-amine dihydrochloride

登记号

• MDL号: MFCD21606203
• PubChem SID: 162028695
• PubChem CID: 71298925

理论计算性质

• 质子供体: 1
• LogD (pH = 5.5): -2.1514473
• LogD (pH = 7.4): -1.5222144
• Log P: 1.3261598
• 摩尔折射率: 62.3569 cm^3
• 极化性: 23.20451 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
• 质子受体: 4

分子性质

安全信息

• 保存注意事项: IRRITANT
• TSCA收录: false