3-chloro-5-(6-oxo-4-(trifluoromethyl)-1,6-dihydropyrimidin-5-yloxy)benzonitrile | 1591827-00-7
中文名称
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中文别名
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英文名称
3-chloro-5-(6-oxo-4-(trifluoromethyl)-1,6-dihydropyrimidin-5-yloxy)benzonitrile
英文别名
3-Chloro-5-((6-oxo-4-(trifluoromethyl)-1,6-dihydropyrimidin-5-yl)oxy)benzonitrile；3-chloro-5-[[6-oxo-4-(trifluoromethyl)-1H-pyrimidin-5-yl]oxy]benzonitrile
CAS
1591827-00-7
化学式
C12H5ClF3N3O2
mdl
——
分子量
315.639
InChiKey
LAEFUMCLRJLLEP-UHFFFAOYSA-N
BEILSTEIN
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EINECS
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物化性质
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计算性质
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ADMET
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安全信息
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SDS
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制备方法与用途
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上下游信息
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文献信息
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表征谱图
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同类化合物
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相关功能分类
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相关结构分类
物化性质
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沸点：344.7±52.0 °C(Predicted)
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密度：1.56±0.1 g/cm3(Predicted)
计算性质
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辛醇/水分配系数(LogP)：2.3
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重原子数：21
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可旋转键数：2
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环数：2.0
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sp3杂化的碳原子比例：0.08
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拓扑面积：74.5
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氢给体数：1
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氢受体数：7
上下游信息
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上游原料
中文名称 英文名称 CAS号 化学式 分子量 —— 3-chloro-5-(1-(4-methoxybenzyl)-6-oxo-4-(trifluoromethyl)-1,6-dihydropyrimidin-5-yloxy)benzonitrile 1591826-99-1 C20H13ClF3N3O3 435.79 -
下游产品
中文名称 英文名称 CAS号 化学式 分子量 —— 2,5-dichloro-3-((6-oxo-4-(trifluoromethyl)-1,6-dihydropyrimidin-5-yl)oxy)benzonitrile 1591827-36-9 C12H4Cl2F3N3O2 350.084 —— 2-fluoro-3-((6-oxo-4-(trifluoromethyl)-1,6-dihydropyrimidin-5-yl)oxy)benzonitrile 1591829-10-5 C12H5F4N3O2 299.184 —— 3-chloro-5-((1-((5-hydroxypyrazin-2-yl)methyl)-6-oxo-4-(trifluoromethyl)-1,6-dihydro pyrimidin-5-yl)oxy)benzonitrile 1591823-66-3 C17H9ClF3N5O3 423.738 —— 3-chloro-5-((1-((2-methyl-6-oxo-1,6-dihydropyrimidin-5-yl)methyl)-6-oxo-4-(trifluoro methyl)-1,6-dihydropyrimidin-5-yl)oxy)benzonitrile 1591826-37-7 C18H11ClF3N5O3 437.765 —— 3-chloro-5-((1-((5-chloropyrazin-2-yl)methyl)-6-oxo-4-(trifluoromethyl)-1,6-dihydropyrimidin-5-yl)oxy)benzonitrile 1591827-01-8 C17H8Cl2F3N5O2 442.184 —— 3-chloro-5-((6-oxo-1-((3-oxo-2,3-dihydropyridazin-4-yl)methyl)-4-(trifluoromethyl)-1,6-dihydropyrimidin-5-yl)oxy)benzonitrile 1591823-74-3 C17H9ClF3N5O3 423.738 —— 3-chloro-5-((6-oxo-1-((6-oxo-1,6-dihydropyridazin-3-yl)methyl)-4-(trifluoromethyl)-1,6-dihydropyrimidin-5-yl)oxy)benzonitrile 1591823-78-7 C17H9ClF3N5O3 423.738 —— 5-((5-(3-chloro-5-cyanophenoxy)-6-oxo-4-(trifluoromethyl)pyrimidin-1(6H)-yl)methyl)-6-oxo-1,6-dihydropyrimidine-2-carbonitrile 1591826-59-3 C18H8ClF3N6O3 448.748 —— 3-chloro-5-((1-((2-(methylamino)-6-oxo-1,6-dihydropyrimidin-5-yl)methyl)-6-oxo-4-(trifluoromethyl)-1,6-dihydropyrimidin-5-yl)oxy)benzonitrile 1591826-41-3 C18H12ClF3N6O3 452.78 —— 3-chloro-5-((1-((2-(difluoromethyl)-6-oxo-1,6-dihydropyrimidin-5-yl)methyl)-6-oxo-4-(trifluoromethyl)-1,6-dihydropyrimidin-5-yl)oxy)benzonitrile 1591826-61-7 C18H9ClF5N5O3 473.746 —— 3-chloro-5-((6-oxo-1-((3-oxo-3,4-dihydropyrazin-2-yl)methyl)-4-(trifluoromethyl)-1,6-dihydropyrimidin-5-yl)oxy)benzonitrile 1591823-72-1 C17H9ClF3N5O3 423.738 —— 3-chloro-5-((1-((4-methyl-5-oxo-4,5-dihydropyrazin-2-yl)methyl)-6-oxo-4-(trifluoromethyl)-1,6-dihydropyrimidin-5-yl)oxy)benzonitrile 1591823-70-9 C18H11ClF3N5O3 437.765 —— 3-((1-((2-(tert-butyl)-6-oxo-1,6-dihydropyrimidin-5-yl)methyl)-6-oxo-4-(trifluoromethyl)-1,6-dihydropyrimidin-5-yl)oxy)-5-chlorobenzonitrile 1591826-34-4 C21H17ClF3N5O3 479.846 —— 3-chloro-5-((1-((6-methoxypyridazin-3-yl)methyl)-6-oxo-4-(trifluoromethyl)-1,6-dihydropyrimidin-5-yl)oxy)benzonitrile 1591827-08-5 C18H11ClF3N5O3 437.765 —— 3-chloro-5-((1-((2-chloro-4-methoxypyrimidin-5-yl)methyl)-6-oxo-4-(trifluoromethyl)-1,6-dihydropyrimidin-5-yl)oxy)benzonitrile 1591828-73-7 C18H10Cl2F3N5O3 472.21 —— 3-chloro-5-((1-((3-methoxypyridazin-4-yl)methyl)-6-oxo-4-(trifluoromethyl)-1,6-dihydropyrimidin-5-yl)oxy)benzonitrile 1591827-04-1 C18H11ClF3N5O3 437.765 —— 3-chloro-5-((1-((5-chloro-6-oxo-1,6-dihydropyridazin-3-yl)methyl)-6-oxo-4-(trifluoromethyl)-1,6-dihydropyrimidin-5-yl)oxy)benzonitrile 1591825-71-6 C17H8Cl2F3N5O3 458.183 —— 5-((5-(3-chloro-5-cyanophenoxy)-6-oxo-4-(trifluoromethyl)pyrimidin-1(6H)-yl)methyl)-6-oxo-1,6-dihydropyrimidine-2-carboxamide 1591826-58-2 C18H10ClF3N6O4 466.763 —— 3-chloro-5-((1-((3-methoxypyrazin-2-yl)methyl)-6-oxo-4-(trifluoromethyl)-1,6-dihydropyrimidin-5-yl)oxy)benzonitrile 1591827-02-9 C18H11ClF3N5O3 437.765 —— 3-chloro-5-((1-((6-chloro-3-methoxypyridazin-4-yl)methyl)-6-oxo-4-(trifluoromethyl)-1,6-dihydropyrimidin-5-yl)oxy)benzonitrile 1591827-79-0 C18H10Cl2F3N5O3 472.21 —— 3-chloro-5-((1-((2-(4-fluorophenyl)-6-oxo-1,6-dihydropyrimidin-5-yl)methyl)-6-oxo-4-(trifluoromethyl)-1,6-dihydropyrimidin-5-yl)oxy)benzonitrile 1591826-50-4 C23H12ClF4N5O3 517.827 —— 3-chloro-5-((1-((5-methoxy-6-oxo-1,6-dihydropyridazin-3-yl)methyl)-6-oxo-4-(trifluoromethyl)-1,6-dihydropyrimidin-5-yl)oxy)benzonitrile 1591826-03-7 C18H11ClF3N5O4 453.765 —— 3-((1-((2-(tert-butyl)-4-methoxypyrimidin-5-yl)methyl)-6-oxo-4-(trifluoromethyl)-1,6-dihydropyrimidin-5-yl)oxy)-5-chlorobenzonitrile 1591828-11-3 C22H19ClF3N5O3 493.873 —— 3-chloro-5-((1-((6-(difluoromethyl)-3-oxo-2,3-dihydropyridazin-4-yl)methyl)-6-oxo-4-(trifluoromethyl)-1,6-dihydropyrimidin-5-yl)oxy)benzonitrile 1591826-32-2 C18H9ClF5N5O3 473.746 —— 3-chloro-5-((1-((5-(fluoromethyl)-6-oxo-1,6-dihydropyridazin-3-yl)methyl)-6-oxo-4-(trifluoromethyl)-1,6-dihydropyrimidin-5-yl)oxy)benzonitrile 1591824-04-2 C18H10ClF4N5O3 455.756 —— 3-chloro-5-((1-((5-(hydroxymethyl)-6-oxo-1,6-dihydropyridazin-3-yl)methyl)-6-oxo-4-(trifluoromethyl)-1,6-dihydropyrimidin-5-yl)oxy)benzonitrile 1591823-93-6 C18H11ClF3N5O4 453.765 —— 3-chloro-5-((1-((5-(difluoromethyl)-6-oxo-1,6-dihydropyridazin-3-yl)methyl)-6-oxo-4-(trifluoromethyl)-1,6-dihydropyrimidin-5-yl)oxy)benzonitrile 1591825-95-4 C18H9ClF5N5O3 473.746 —— 3-chloro-5-((6-oxo-1-((6-oxo-5-(trifluoromethyl)-1,6-dihydropyridazin-3-yl)methyl)-4-(trifluoromethyl)-1,6-dihydropyrimidin-5-yl)oxy)benzonitrile 1591823-76-5 C18H8ClF6N5O3 491.737 —— 3-chloro-5-((1-((5-formyl-6-methoxypyridazin-3-yl)methyl)-6-oxo-4-(trifluoro methyl)-1,6-dihydropyrimidin-5-yl)oxy)benzonitrile 1591827-32-5 C19H11ClF3N5O4 465.776 —— 3-chloro-5-((1-((6-formyl-3-methoxypyridazin-4-yl)methyl)-6-oxo-4-(trifluoromethyl)-1,6-dihydropyrimidin-5-yl)oxy)benzonitrile 1591827-89-2 C19H11ClF3N5O4 465.776 —— 3-chloro-5-((1-((5-(fluoromethyl)-6-methoxypyridazin-3-yl)methyl)-6-oxo-4-(trifluoromethyl)-1,6-dihydropyrimidin-5-yl)oxy)benzonitrile 1591827-34-7 C19H12ClF4N5O3 469.783 —— 6-((5-(3-chloro-5-cyanophenoxy)-6-oxo-4-(trifluoromethyl)pyrimidin-1(6H)-yl)methyl)-3-oxo-2,3-dihydropyridazine-4-carboxamide 1591825-93-2 C18H10ClF3N6O4 466.763 —— 3-chloro-5-((1-((6-(hydroxymethyl)-3-methoxypyridazin-4-yl)methyl)-6-oxo-4-(trifluoromethyl)-1,6-dihydropyrimidin-5-yl)oxy)benzonitrile 1591827-88-1 C19H13ClF3N5O4 467.792 —— 3-chloro-5-((1-((4-((4-methoxybenzyl)oxy)-2-(methylamino)pyrimidin-5-yl)methyl)-6-oxo-4-(trifluoromethyl)-1,6-dihydropyrimidin-5-yl)oxy)benzonitrile 1591828-37-3 C26H20ClF3N6O4 572.931 —— 3-chloro-5-((1-((4-((4-methoxybenzyl)oxy)-2-(methylthio)pyrimidin-5-yl)methyl)-6-oxo-4-(trifl