基本情報
- CAS
518047-37-5- 標準SMILES
CN1CCOCC1c1nc(C(=O)NCc2ccc(F)cc2)c(O)c(=O)n1C- InChIKey
MMPZNODECHHWIW-UHFFFAOYSA-N- 分子式
- C18H21FN4O4
- 平均分子量
- 376.4 g/mol
- 単同位体質量
- 376.15468333
名称と識別子
- 優先名称
- N-[(4-fluorophenyl)methyl]-5-hydroxy-1-methyl-2-(4-methylmorpholin-3-yl)-6-oxo-pyrimidine-4-carboxamide
- IUPAC
- N-[(4-fluorophenyl)methyl]-5-hydroxy-1-methyl-2-(4-methylmorpholin-3-yl)-6-oxopyrimidine-4-carboxamide
名称と別名
N-Methylpyrimidone, 17N-[(4-fluorophenyl)methyl]-5-hydroxy-1-methyl-2-(4-methylmorpholin-3-yl)-6-oxo-pyrimidine-4-carboxamideJMC51861 Compound 4N-Me-pyrimidone deriv., 27CHEMBL386710SCHEMBL1150549BDBM22628DTXSID901106925518047-37-5(+)-4-Pyrimidinecarboxamide, N-[(4-fluorophenyl)methyl]-1,6-dihydro-5-hydroxy-1-methyl-2-(4-methyl-3-morpholinyl)-6-oxo-(+/-)-4-Pyrimidinecarboxamide, N-[(4-fluorophenyl)methyl]-1,6-dihydro-5-hydroxy-1-methyl-2-(4-methyl-3-morpholinyl)-6-oxo-(-)-4-Pyrimidinecarboxamide, N-[(4-fluorophenyl)methyl]-1,6-dihydro-5-hydroxy-1-methyl-2-(4-methyl-3-morpholinyl)-6-oxo-
名称をさらに表示
N-[(4-Fluorophenyl)methyl]-1,6-dihydro-5-hydroxy-1-methyl-2-(4-methyl-3-morpholinyl)-6-oxo-4-pyrimidinecarboxamideN-[(4-fluorophenyl)methyl]-5-hydroxy-1-methyl-2-(3-methyl-1,3-oxazinan-2-yl)-6-oxo-1,6-dihydropyrimidine-4-carboxamideN-[(4-fluorophenyl)methyl]-5-hydroxy-1-methyl-2-(4-methylmorpholin-3-yl)-6-oxo-1,6-dihydropyrimidine-4-carboxamide
データベース識別子
物性
構造計算による物性
- XLogP
- 0.7
- 極性表面積
- 94.5 Ų
- 水素結合供与体数
- 2
- 水素結合受容体数
- 7
- 回転可能結合数
- 4
- 重原子数
- 27
- 形式電荷
- 0
- 複雑度
- 658
関連反応
0 件
現在のフィルター条件では反応記録がありません。
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