HCID66731781

N-methyl-4-(2-(4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenoxy)pyridin-3-yl)pyrimidin-2-amine

N-methyl-4-[2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenoxy]-3-pyridinyl]pyrimidin-2-amine

C22H25BN4O3404.3 g/mol

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IDENTITY

结构与身份

标准SMILES: CNc1nccc(-c2cccnc2Oc2ccc(B3OC(C)(C)C(C)(C)O3)cc2)n1
InChIKey: DKHRUNUSAYILLU-UHFFFAOYSA-N
分子式: C22H25BN4O3
平均分子量: 404.3 g/mol
单同位素质量: 404.2019708

COMPUTED

结构计算性质

已同步

极性表面积: 78.4 Å²
氢键供体: 1
氢键受体: 7
可旋转键: 5
重原子: 30
形式电荷: 0
复杂度: 555

ALIASES

名称与别名

共 6 条

SCHEMBL581042DKHRUNUSAYILLU-UHFFFAOYSA-NDB-088822945599-82-6N-methyl-4-(2-(4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenoxy)pyridin -3-yl)pyrimidin-2-amineN-methyl-4-(2-(4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenoxy)pyridin-3-yl)pyrimidin-2-amine

REACTIONS