2-hydrazinyl-4-(5-methylfuran-2-yl)pyrimidine

• ChemBase编号: 309837
• 分子式: C9H10N4O
• 平均质量: 190.2019
• 单一同位素质量: 190.08546096
• SMILES: c1(oc(cc1)C)c1nc(ncc1)NN
• Canonical SMILES: NNc1nccc(n1)c1ccc(o1)C
• InChI: InChI=1S/C9H10N4O/c1-6-2-3-8(14-6)7-4-5-11-9(12-7)13-10/h2-5H,10H2,1H3,(H,11,12,13)
• InChIKey: GTZDLRYHECMOKK-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 2-hydrazinyl-4-(5-methylfuran-2-yl)pyrimidine
• IUPAC传统名: 2-hydrazinyl-4-(5-methylfuran-2-yl)pyrimidine
• 别名: 2-hydrazino-4-(5-methyl-2-furyl)pyrimidine

登记号

• MDL号: MFCD22575205

理论计算性质

• 质子受体: 4
• 质子供体: 2
• LogD (pH = 5.5): 1.371073
• LogD (pH = 7.4): 1.4124914
• Log P: 1.4130478
• 摩尔折射率: 54.6798 cm^3
• 极化性: 20.689846 Å^3
• 极化表面积: 76.97 Å^2