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结构：Cc1ccc(N)cc1Nc1nccc(-c2cncnc2)n1
HCID23145839

4-Methyl-3-[4-(5-pyrimidinyl)pyrimidin-2-ylamino]aniline

4-methyl-3-N-(4-pyrimidin-5-ylpyrimidin-2-yl)benzene-1,3-diamine

C15H14N6278.31 g/molCAS 641615-36-3
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IDENTITY

结构与身份

标准 SMILES
Cc1ccc(N)cc1Nc1nccc(-c2cncnc2)n1
InChIKey
BECLORGBMXGXCB-UHFFFAOYSA-N
分子式
C15H14N6
平均分子量
278.31 g/mol
单同位素质量
278.12799447

COMPUTED

结构计算性质

等待补全
XLogP
1.7
极性表面积
89.6 Ų
氢键供体
2
氢键受体
6
可旋转键
3
重原子
21
形式电荷
0
复杂度
319
物化、安全与法规信息正在同步。

ALIASES

名称与别名

共 13 条
641615-36-34-methyl-3-[4-(5-pyrimidinyl)pyrimidin-2-ylamino]anilineN*3*-[4,5']BIPYRIMIDINYL-2-YL-4-METHYL-BENZENE-1,3-DIAMINE4-methyl-3-N-(4-pyrimidin-5-ylpyrimidin-2-yl)benzene-1,3-diamineSCHEMBL2575958DTXSID80630980BECLORGBMXGXCB-UHFFFAOYSA-NSB17864DA-41820N(3)-4,5'-bipyrimidin-2-yl-4-methyl benzene-1,3-diamineN(3)-4,5'-Bipyrimidin-2-yl-4-methylbenzene-1,3-diamineN~3~-([4,5'-Bipyrimidin]-2-yl)-4-methylbenzene-1,3-diamineN1-([4,5'-Bipyrimidin]-2-yl)-6-methylbenzene-1,3-diamine

REACTIONS

参与反应

11 条
全部作为反应物作为生成物作为试剂作为催化剂作为溶剂
HRID90113

Training data from https://doi.org/10.1039/C8SC04228D (2/10)

作为反应物
HRID 90113 方程式

Training data from https://doi.org/10.1039/C8SC04228D (2/10) · 10.1039/C8SC04228D

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HRID192948

Training data from https://doi.org/10.1039/C8SC04228D (6/10)

作为反应物
HRID 192948 方程式

Training data from https://doi.org/10.1039/C8SC04228D (6/10) · 10.1039/C8SC04228D

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HRID310851

Training data from https://doi.org/10.1039/C8SC04228D (8/10)

作为反应物
HRID 310851 方程式

Training data from https://doi.org/10.1039/C8SC04228D (8/10) · 10.1039/C8SC04228D

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HRID1120376

Training data from https://doi.org/10.1039/C8SC04228D (7/10)

作为反应物
HRID 1120376 方程式

Training data from https://doi.org/10.1039/C8SC04228D (7/10) · 10.1039/C8SC04228D

查看条件与参与物
HRID1134469

Training data from https://doi.org/10.1039/C8SC04228D (7/10)

作为反应物
HRID 1134469 方程式

Training data from https://doi.org/10.1039/C8SC04228D (7/10) · 10.1039/C8SC04228D

查看条件与参与物