HCID5481386

5-(4-Benzylamino-3-nitro-phenyl)-6-ethyl-pyrimidine-2,4-diamine

5-[4-(benzylamino)-3-nitrophenyl]-6-ethylpyrimidine-2,4-diamine

C19H20N6O2364.4 g/mol

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IDENTITY

结构与身份

标准SMILES: CCc1nc(N)nc(N)c1-c1ccc(NCc2ccccc2)c([N+](=O)[O-])c1
InChIKey: AKHJHGFAKBSNDF-UHFFFAOYSA-N
分子式: C19H20N6O2
平均分子量: 364.4 g/mol
单同位素质量: 364.1647739

COMPUTED

结构计算性质

已同步

XLogP: 3.7
极性表面积: 136 Å²
氢键供体: 3
氢键受体: 7
可旋转键: 5
重原子: 27
形式电荷: 0
复杂度: 481

ALIASES

名称与别名

共 6 条

CHEMBL81294SCHEMBL7776412BDBM50059949[4-(2,4-Diamino-6-ethylpyrimidin-5-yl)-2-nitrophenyl]benzylamine5-(4-Benzylamino-3-nitro-phenyl)-6-ethyl-pyrimidine-2,4-diamine5-[4-(benzylamino)-3-nitro-phenyl]-6-ethyl-pyrimidine-2,4-diamine

REACTIONS

参与反应

1 条

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

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