HCID58456086

N-[3-fluoro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-4-(trifluoromethyl)pyrimidin-2-amine

C17H18BF4N3O2383.2 g/mol

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IDENTITY

结构与身份

标准SMILES: CC1(C)OB(c2cc(F)cc(Nc3nccc(C(F)(F)F)n3)c2)OC1(C)C
InChIKey: FQVCEZZUIDTVMR-UHFFFAOYSA-N
分子式: C17H18BF4N3O2
平均分子量: 383.2 g/mol
单同位素质量: 383.1428196

COMPUTED

结构计算性质

已同步

极性表面积: 56.3 Å²
氢键供体: 1
氢键受体: 9
可旋转键: 3
重原子: 27
形式电荷: 0
复杂度: 519

ALIASES

名称与别名

共 5 条

N-[3-fluoro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-4-(trifluoromethyl)pyrimidin-2-amineN-(3-fluoro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)-4-(trifluoromethyl)pyrimidin-2-amineSCHEMBL2053501DB-2139231312535-37-7

REACTIONS

参与反应

3 条

uspto-grants-2014_06 · 10.6084/m9.figshare.5104873.v1 · US08759366B2

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uspto-grants-2013_10 · 10.6084/m9.figshare.5104873.v1 · US08551984B2

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Training data from https://doi.org/10.1039/C8SC04228D (1/10) · 10.1039/C8SC04228D

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