Methyl 6-(4-fluorophenyl)-1,2-dihydro-4-(1-methylethyl)-2-oxo-5-pyrimidinecarboxylate 分子结构式
HCID178496923

Methyl 6-(4-fluorophenyl)-1,2-dihydro-4-(1-methylethyl)-2-oxo-5-pyrimidinecarboxylate

methyl 4-(4-fluorophenyl)-2-oxo-6-propan-2-yl-1H-pyrimidine-5-carboxylate

C15H15FN2O3290.29 g/mol

IDENTITY

结构与身份

标准SMILES
COC(=O)c1c(-c2ccc(F)cc2)nc(O)nc1C(C)C
InChIKey
KWWCLAUZCCGNHS-UHFFFAOYSA-N
分子式
C15H15FN2O3
平均分子量
290.29 g/mol
单同位素质量
290.10667051

COMPUTED

结构计算性质

等待补全
XLogP
2.6
极性表面积
67.8 Ų
氢键供体
1
氢键受体
4
可旋转键
4
重原子
21
形式电荷
0
复杂度
503
物化、安全与法规信息正在同步。

ALIASES

名称与别名

共 22 条
488798-37-4Methyl 6-(4-fluorophenyl)-1,2-dihydro-4-(1-methylethyl)-2-oxo-5-pyrimidinecarboxylateRefChem:356216Methyl 4-(4-fluorophenyl)-2-hydroxy-6-isopropylpyrimidine-5-carboxylatemethyl 4-(4-fluorophenyl)-6-isopropyl-2-oxo-1,2-dihydropyrimidine-5-carboxylateMethyl 4-(4-fluorophenyl)-2-oxo-6-propan-2-yl-1H-pyrimidine-5-carboxylatemethyl 4-(4-fluorophenyl)-2-hydroxy-6-(propan-2-yl)pyrimidine-5-carboxylate5-PyriMidinecarboxylic acid, 4-(4-fluorophenyl)-1,2-dihydro-6-(1-Methylethyl)-2-oxo-, Methyl esterSCHEMBL1751791SCHEMBL30716573SCHEMBL31676677DTXSID90468337KWWCLAUZCCGNHS-UHFFFAOYSA-NMFCD27665415AKOS022172897methyl 4-(4-fluorophenyl)-6-isopropyl-2-oxo-1H-pyrimidine-5-carboxylateSB58705AS-74688F208984-(4-fluorophenyl)-2-hydroxy-6-isopropyl-5-methoxycarbonylpyrimidine

REACTIONS

相关反应

36
HRID 157113 反应方程式

Training data from https://doi.org/10.1039/C8SC04228D (9/10) · 10.1039/C8SC04228D

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HRID 162700 反应方程式

Training data from https://doi.org/10.1039/C8SC04228D (9/10) · 10.1039/C8SC04228D

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HRID 170596 反应方程式

Training data from https://doi.org/10.1039/C8SC04228D (9/10) · 10.1039/C8SC04228D

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HRID 186837 反应方程式

Training data from https://doi.org/10.1039/C8SC04228D (6/10) · 10.1039/C8SC04228D

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HRID 934238 反应方程式

Validation data from https://doi.org/10.1039/C8SC04228D · 10.1039/C8SC04228D

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HRID 968897 反应方程式

uspto-grants-2007_12 · 10.6084/m9.figshare.5104873.v1 · US07304156B2

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HRID 968898 反应方程式

uspto-grants-2007_12 · 10.6084/m9.figshare.5104873.v1 · US07304156B2

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HRID 968899 反应方程式

uspto-grants-2007_12 · 10.6084/m9.figshare.5104873.v1 · US07304156B2

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