Training data from https://doi.org/10.1039/C8SC04228D (2/10) · 10.1039/C8SC04228D
查看![[4-Amino-2-(piperidin-4-ylamino)-pyrimidin-5-yl]-(5-fluoro-2-methoxy-phenyl)-methanone 分子结构式](/api/mol/9997668/svg/360x280.svg)
IDENTITY
结构与身份
- 标准SMILES
- COc1ccc(F)cc1C(=O)c1cnc(NC2CCNCC2)nc1N
- InChIKey
- QVFXVOGOGMAXRY-UHFFFAOYSA-N
- 分子式
- C17H20FN5O2
- 平均分子量
- 345.4 g/mol
- 单同位素质量
- 345.16010306
COMPUTED
结构计算性质
- XLogP
- 2.3
- 极性表面积
- 102 Ų
- 氢键供体
- 3
- 氢键受体
- 8
- 可旋转键
- 5
- 重原子
- 25
- 形式电荷
- 0
- 复杂度
- 449
ALIASES
名称与别名
SCHEMBL3843535QVFXVOGOGMAXRY-UHFFFAOYSA-N[4-amino-2-(piperidin-4-ylamino)-pyrimidin-5-yl]-(5-fluoro-2-methoxy-phenyl)-methanone
REACTIONS
相关反应
Training data from https://doi.org/10.1039/C8SC04228D (9/10) · 10.1039/C8SC04228D
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Training data from https://doi.org/10.1039/C8SC04228D (9/10) · 10.1039/C8SC04228D
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Training data from https://doi.org/10.1039/C8SC04228D (6/10) · 10.1039/C8SC04228D
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Training data from https://doi.org/10.1039/C8SC04228D (6/10) · 10.1039/C8SC04228D
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Training data from https://doi.org/10.1039/C8SC04228D (8/10) · 10.1039/C8SC04228D
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Training data from https://doi.org/10.1039/C8SC04228D (3/10) · 10.1039/C8SC04228D
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Training data from https://doi.org/10.1039/C8SC04228D (3/10) · 10.1039/C8SC04228D
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