uspto-grants-2011_09 · 10.6084/m9.figshare.5104873.v1 · US08022205B2
查看![4-{2-[Bis-(4-methoxy-benzyl)-amino]-pyrimidin-5-yl}-2-morpholin-4-yl-5,6-dihydro-pyrrolo[2,3-d]pyrimidine-7-carboxylic acid (2-carbamoyl-ethyl)-amide 分子结构式](/api/mol/59244692/svg/360x280.svg)
HCID59244692
4-{2-[Bis-(4-methoxy-benzyl)-amino]-pyrimidin-5-yl}-2-morpholin-4-yl-5,6-dihydro-pyrrolo[2,3-d]pyrimidine-7-carboxylic acid (2-carbamoyl-ethyl)-amide
N-(3-amino-3-oxopropyl)-4-[2-[bis[(4-methoxyphenyl)methyl]amino]pyrimidin-5-yl]-2-morpholin-4-yl-5,6-dihydropyrrolo[2,3-d]pyrimidine-7-carboxamide
C34H39N9O5653.7 g/mol
IDENTITY
结构与身份
- 标准SMILES
- COc1ccc(CN(Cc2ccc(OC)cc2)c2ncc(-c3nc(N4CCOCC4)nc4c3CCN4C(=O)NCCC(N)=O)cn2)cc1
- InChIKey
- YJHBZFGBIYVHGQ-UHFFFAOYSA-N
- 分子式
- C34H39N9O5
- 平均分子量
- 653.7 g/mol
- 单同位素质量
- 653.30741538
COMPUTED
结构计算性质
- XLogP
- 2
- 极性表面积
- 161 Ų
- 氢键供体
- 2
- 氢键受体
- 11
- 可旋转键
- 12
- 重原子
- 48
- 形式电荷
- 0
- 复杂度
- 987
ALIASES
名称与别名
SCHEMBL2376657YJHBZFGBIYVHGQ-UHFFFAOYSA-N4-{2-[Bis-(4-methoxy-benzyl)-amino]-pyrimidin-5-yl}-2-morpholin-4-yl-5,6-dihydro-pyrrolo[2,3-d]pyrimidine-7-carboxylic acid (2-carbamoyl-ethyl)-amide
REACTIONS
参与反应