HCID76446949

3-(2,5-Dichloro-pyrimidin-4-ylamino)-bicyclo[2.2.1]hept-5-ene-2-carboxylic acid amide

3-[(2,5-dichloropyrimidin-4-yl)amino]bicyclo[2.2.1]hept-5-ene-2-carboxamide

C12H12Cl2N4O299.15 g/mol

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IDENTITY

结构与身份

标准SMILES: NC(=O)C1C2C=CC(C2)C1Nc1nc(Cl)ncc1Cl
InChIKey: AZAYFVIDSOLXSL-UHFFFAOYSA-N
分子式: C12H12Cl2N4O
平均分子量: 299.15 g/mol
单同位素质量: 298.0388164

COMPUTED

结构计算性质

已同步

XLogP: 2.5
极性表面积: 80.9 Å²
氢键供体: 2
氢键受体: 4
可旋转键: 3
重原子: 19
形式电荷: 0
复杂度: 405

ALIASES

名称与别名

共 3 条

SCHEMBL2060373AZAYFVIDSOLXSL-UHFFFAOYSA-N3-(2,5-Dichloro-pyrimidin-4-ylamino)-bicyclo[2.2.1]hept-5-ene-2-carboxylic acid amide

REACTIONS

参与反应

34 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

HRID101279

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

作为反应物

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

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HRID115618

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

作为反应物

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

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HRID117555

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

作为反应物

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

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HRID123884

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

作为反应物

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

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HRID136451

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

作为反应物

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

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HRID141999

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

作为反应物

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

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HRID159568

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

作为反应物

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

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HRID167083

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

作为反应物

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

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