HCID22060643

N2,N4-bis(3-methoxy-4-methoxycarbonylphenyl)-5-fluoro-2,4-pyrimidinediamine

methyl 4-[[5-fluoro-2-(3-methoxy-4-methoxycarbonylanilino)pyrimidin-4-yl]amino]-2-methoxybenzoate

C22H21FN4O6456.4 g/mol

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IDENTITY

结构与身份

标准SMILES: COC(=O)c1ccc(Nc2ncc(F)c(Nc3ccc(C(=O)OC)c(OC)c3)n2)cc1OC
InChIKey: FNOCSKNVHOWDJX-UHFFFAOYSA-N
分子式: C22H21FN4O6
平均分子量: 456.4 g/mol
单同位素质量: 456.14451256

COMPUTED

结构计算性质

已同步

XLogP: 3.7
极性表面积: 121 Å²
氢键供体: 2
氢键受体: 11
可旋转键: 10
重原子: 33
形式电荷: 0
复杂度: 658

ALIASES

名称与别名

共 4 条

SCHEMBL656850FNOCSKNVHOWDJX-UHFFFAOYSA-NN2,N4-bis(3-methoxy-4-methoxycarbonylphenyl)-5-fluoro-2,4-pyrimidinediamineN2,N4-bis[3-methoxy-4-(methoxycarbonyl)phenyl]-5-fluoro-2,4-pyrimidinediamine

REACTIONS

参与反应

49 条

uspto-grants-2014_09 · 10.6084/m9.figshare.5104873.v1 · US08822685B2

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uspto-grants-2014_09 · 10.6084/m9.figshare.5104873.v1 · US08822685B2

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uspto-grants-2014_09 · 10.6084/m9.figshare.5104873.v1 · US08835430B2

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uspto-grants-2014_09 · 10.6084/m9.figshare.5104873.v1 · US08835430B2

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uspto-grants-2009_07 · 10.6084/m9.figshare.5104873.v1 · US07557210B2

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uspto-grants-2009_07 · 10.6084/m9.figshare.5104873.v1 · US07557210B2

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uspto-grants-2014_06 · 10.6084/m9.figshare.5104873.v1 · US08748597B2

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uspto-grants-2014_06 · 10.6084/m9.figshare.5104873.v1 · US08748597B2

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