HCID68572978

4-(-4Acetyl piperazino)-5-(4-chlorophenylethynyl)-2-diisopropylaminomethyleneaminopyrimidine

N'-[4-(4-acetylpiperazin-1-yl)-5-[2-(4-chlorophenyl)ethynyl]pyrimidin-2-yl]-N,N-di(propan-2-yl)methanimidamide

C25H31ClN6O467 g/mol

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: CC(=O)N1CCN(c2nc(N=CN(C(C)C)C(C)C)ncc2C#Cc2ccc(Cl)cc2)CC1
InChIKey: RPVYPOGOBWCGNA-UHFFFAOYSA-N
分子式: C25H31ClN6O
平均分子量: 467 g/mol
单同位素质量: 466.2247873

COMPUTED

结构计算性质

已同步

XLogP: 4.2
极性表面积: 64.9 Å²
氢键供体: 0
氢键受体: 5
可旋转键: 7
重原子: 33
形式电荷: 0
复杂度: 720

ALIASES

名称与别名

共 4 条

SCHEMBL3264002RPVYPOGOBWCGNA-UHFFFAOYSA-N4-(-4acetyl piperazino)-5-(4-chlorophenylethynyl)-2-diisopropylaminomethyleneaminopyrimidine4-(-4-acetyl piperazino)-5-(4-chlorophenylethynyl)-2-diisopropylaminomethyleneaminopyrimidine

REACTIONS

参与反应

2 条

uspto-grants-2007_04 · 10.6084/m9.figshare.5104873.v1 · US07205297B2

查看

Training data from https://doi.org/10.1039/C8SC04228D (4/10) · 10.1039/C8SC04228D

查看