4,6-dimethyl-2-(piperazin-1-yl)pyrimidine

• ChemBase编号: 30758
• 分子式: C10H16N4
• 平均质量: 192.26084
• 单一同位素质量: 192.13749653
• SMILES: c1(nc(cc(n1)C)C)N1CCNCC1
• Canonical SMILES: Cc1nc(nc(c1)C)N1CCNCC1
• InChI: InChI=1S/C10H16N4/c1-8-7-9(2)13-10(12-8)14-5-3-11-4-6-14/h7,11H,3-6H2,1-2H3
• InChIKey: QLTXFTSBONWMPM-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 4,6-dimethyl-2-(piperazin-1-yl)pyrimidine
• IUPAC传统名: 4,6-dimethyl-2-(piperazin-1-yl)pyrimidine
• 别名: 4,6-Dimethyl-2-piperazin-1-yl-pyrimidine; 1-(4,6-Dimethylpyrimidin-2-yl)piperazine; 4,6-Dimethyl-2-(piperazin-1-yl)-1,3-diazine; 4,6-Dimethyl-2-(piperazin-1-yl)pyrimidine 98%

登记号

• CAS号: 22746-09-4
• MDL号: MFCD00885959
• PubChem SID: 160994065
• PubChem CID: 2758651

理论计算性质

• 质子受体: 4
• 质子供体: 1
• LogD (pH = 5.5): -2.3588967
• LogD (pH = 7.4): -0.7536085
• Log P: 0.5633773
• 摩尔折射率: 57.0353 cm^3
• 极化性: 21.367144 Å^3
• 极化表面积: 41.05 Å^2
• 可自由旋转的化学键: 1
• 里宾斯基五规则: true

分子性质

理化性质

• 沸点: 115-118°C/1mm

安全信息

• 保存注意事项: Harmful/Irritant; IRRITANT
• TSCA收录: false