4-hydrazinyl-5,6-dimethyl-2-(pyridin-2-yl)pyrimidine

• ChemBase编号: 271809
• 分子式: C11H13N5
• 平均质量: 215.25442
• 单一同位素质量: 215.11709544
• SMILES: n1c(nc(c(c1NN)C)C)c1ncccc1
• Canonical SMILES: NNc1nc(nc(c1C)C)c1ccccn1
• InChI: InChI=1S/C11H13N5/c1-7-8(2)14-11(15-10(7)16-12)9-5-3-4-6-13-9/h3-6H,12H2,1-2H3,(H,14,15,16)
• InChIKey: DGDLMEXYUFJZTB-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 4-hydrazinyl-5,6-dimethyl-2-(pyridin-2-yl)pyrimidine
• IUPAC传统名: 4-hydrazinyl-5,6-dimethyl-2-(pyridin-2-yl)pyrimidine
• 别名: 4-hydrazino-5,6-dimethyl-2-pyridin-2-ylpyrimidine

登记号

• MDL号: MFCD16727078
• PubChem SID: 164327719
• PubChem CID: 50987621

理论计算性质

• Acid pKa: 19.766191
• 质子受体: 5
• 质子供体: 2
• LogD (pH = 5.5): 2.1914802
• LogD (pH = 7.4): 2.216707
• Log P: 2.217038
• 摩尔折射率: 75.2574 cm^3
• 极化性: 24.01313 Å^3
• 极化表面积: 76.72 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

• 熔点: 182 - 184°C
• 疏水性(logP): 1.591

产品相关信息

• 纯度: 95%