4-(5-fluoro-2-hydrazinylpyrimidin-4-yl)morpholine

• ChemBase编号: 307704
• 分子式: C8H12FN5O
• 平均质量: 213.2121832
• 单一同位素质量: 213.10258825
• SMILES: n1c(c(cnc1NN)F)N1CCOCC1
• Canonical SMILES: NNc1ncc(c(n1)N1CCOCC1)F
• InChI: InChI=1S/C8H12FN5O/c9-6-5-11-8(13-10)12-7(6)14-1-3-15-4-2-14/h5H,1-4,10H2,(H,11,12,13)
• InChIKey: GUQPHPDSFPNIPH-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 4-(5-fluoro-2-hydrazinylpyrimidin-4-yl)morpholine
• IUPAC传统名: 4-(5-fluoro-2-hydrazinylpyrimidin-4-yl)morpholine
• 别名: 4-(5-fluoro-2-hydrazinopyrimidin-4-yl)morpholine

登记号

• CAS号: 118121-89-4
• MDL号: MFCD00181489

理论计算性质

• 质子受体: 6
• 质子供体: 2
• LogD (pH = 5.5): -0.42896768
• LogD (pH = 7.4): 0.6199839
• Log P: 0.74686694
• 摩尔折射率: 56.408 cm^3
• 极化性: 19.385782 Å^3
• 极化表面积: 76.3 Å^2