N,N-dimethyl-4-(piperazin-1-yl)pyrimidin-2-amine dihydrochloride

• ChemBase编号: 278476
• 分子式: C10H19Cl2N5
• 平均质量: 280.19736
• 单一同位素质量: 279.10175099
• SMILES: n1c(nccc1N1CCNCC1)N(C)C.Cl.Cl
• Canonical SMILES: CN(c1nccc(n1)N1CCNCC1)C.Cl.Cl
• InChI: InChI=1S/C10H17N5.2ClH/c1-14(2)10-12-4-3-9(13-10)15-7-5-11-6-8-15;;/h3-4,11H,5-8H2,1-2H3;2*1H
• InChIKey: WHVIPCAIPVCPCR-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: N,N-dimethyl-4-(piperazin-1-yl)pyrimidin-2-amine dihydrochloride
• IUPAC传统名: N,N-dimethyl-4-(piperazin-1-yl)pyrimidin-2-amine dihydrochloride
• 别名: N,N-dimethyl-4-(piperazin-1-yl)pyrimidin-2-amine dihydrochloride

登记号

• MDL号: MFCD19982579
• PubChem SID: 164334386
• PubChem CID: 54594893

理论计算性质

• 质子受体: 5
• 质子供体: 1
• LogD (pH = 5.5): -3.1057024
• LogD (pH = 7.4): -0.5013882
• Log P: 1.0031384
• 摩尔折射率: 62.5944 cm^3
• 极化性: 22.660547 Å^3
• 极化表面积: 44.29 Å^2
• 可自由旋转的化学键: 2
• 里宾斯基五规则: true

分子性质

理化性质

• 疏水性(logP): 0.777

产品相关信息

• 纯度: 95%