2-(1-methylhydrazin-1-yl)-4,6-diphenylpyrimidine

• ChemBase编号: 310715
• 分子式: C17H16N4
• 平均质量: 276.33574
• 单一同位素质量: 276.13749653
• SMILES: c1(nc(cc(n1)c1ccccc1)c1ccccc1)N(N)C
• Canonical SMILES: CN(c1nc(cc(n1)c1ccccc1)c1ccccc1)N
• InChI: InChI=1S/C17H16N4/c1-21(18)17-19-15(13-8-4-2-5-9-13)12-16(20-17)14-10-6-3-7-11-14/h2-12H,18H2,1H3
• InChIKey: TZLATRIAIDVTTD-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 2-(1-methylhydrazin-1-yl)-4,6-diphenylpyrimidine
• IUPAC传统名: 2-(1-methylhydrazin-1-yl)-4,6-diphenylpyrimidine
• 别名: 2-(1-methylhydrazino)-4,6-diphenylpyrimidine

登记号

• CAS号: 413620-13-0
• MDL号: MFCD00582852

理论计算性质

• 质子受体: 4
• 质子供体: 1
• LogD (pH = 5.5): 4.011607
• LogD (pH = 7.4): 4.2295794
• Log P: 4.2332315
• 摩尔折射率: 95.7087 cm^3
• 极化性: 35.017258 Å^3
• 极化表面积: 55.04 Å^2