HCID58439189

2-(4-((2-Chloro-9-methyl-6-morpholino-9H-purin-8-yl)methyl)piperazin-1-yl)-2-methylpropanamide

2-[4-[(2-chloro-9-methyl-6-morpholin-4-ylpurin-8-yl)methyl]piperazin-1-yl]-2-methylpropanamide

C19H29ClN8O2436.9 g/molCAS 1148003-36-4

查看相关反应子结构检索查找相似结构

IDENTITY

结构与身份

标准SMILES: Cn1c(CN2CCN(C(C)(C)C(N)=O)CC2)nc2c(N3CCOCC3)nc(Cl)nc21
InChIKey: NWMQTKDAIGDTBE-UHFFFAOYSA-N
分子式: C19H29ClN8O2
平均分子量: 436.9 g/mol
单同位素质量: 436.2101999

COMPUTED

结构计算性质

已同步

XLogP: 0.3
极性表面积: 106 Å²
氢键供体: 1
氢键受体: 8
可旋转键: 5
重原子: 30
形式电荷: 0
复杂度: 611

ALIASES

名称与别名

共 8 条

SCHEMBL2398263NWMQTKDAIGDTBE-UHFFFAOYSA-NDTXSID8011168041148003-36-42-(4-((2-Chloro-9-methyl-6-morpholino-9H-purin-8-yl)methyl)piperazin-1-yl)-2-methylpropanamide2-(4-{[2-Chloro-9-methyl-6-(morpholin-4-yl)-9H-purin-8-yl]methyl}piperazin-1-yl)-2-methylpropanamide2-[4-(2-Chloro-9-methyl-6-morpholin-4-yl-9H-purin-8-ylmethyl)-piperazin-1-yl]-isobutyramide4-[[2-Chloro-9-methyl-6-(4-morpholinyl)-9H-purin-8-yl]methyl]-I+/-,I+/--dimethyl-1-piperazineacetamide

REACTIONS

参与反应

5 条

Training data from https://doi.org/10.1039/C8SC04228D (9/10) · 10.1039/C8SC04228D

查看

Training data from https://doi.org/10.1039/C8SC04228D (3/10) · 10.1039/C8SC04228D

查看

uspto-grants-2012_05 · 10.6084/m9.figshare.5104873.v1 · US08173650B2

查看

uspto-grants-2012_05 · 10.6084/m9.figshare.5104873.v1 · US08173650B2

查看

uspto-grants-2013_03 · 10.6084/m9.figshare.5104873.v1 · US08394796B2

查看