750 AstraZeneca ELN dataset
查看IDENTITY
结构与身份
- 标准SMILES
- Cc1ncc(-c2nc(N)ncc2F)n1C1CCOCC1
- InChIKey
- UQCMOBQFQMVHTA-UHFFFAOYSA-N
- 分子式
- C13H16FN5O
- 平均分子量
- 277.3 g/mol
COMPUTED
结构计算性质
- XLogP
- 0.5
- 极性表面积
- 78.9 Ų
- 氢键供体
- 1
- 氢键受体
- 6
- 可旋转键
- 2
- 重原子
- 20
- 形式电荷
- 0
- 复杂度
- 328
ALIASES
名称与别名
5-fluoro-4-(2-methyl-1-(tetrahydro-2H-pyran-4-yl)-1H-imidazol-5-yl)pyrimidin-2-amine933784-97-55-fluoro-4-[2-methyl-3-(oxan-4-yl)imidazol-4-yl]pyrimidin-2-amine5-fluoro-4-[2-methyl-1-(tetrahydro-2H-pyran-4-yl)-1H-imidazol-5-yl]pyrimidin-2-amineSCHEMBL633585UQCMOBQFQMVHTA-UHFFFAOYSA-NMFCD19443126AKOS037650881CS-15439DB-079551CS-00031665-fluoro-4-(2-methyl-3-tetrahydropyran-4-yl-imidazol-4-yl)pyrimidin-2-amine
REACTIONS