HCID135410007

4-Hydroxy-2-phenyl-6-(trifluoromethyl)pyrimidine

2-phenyl-4-(trifluoromethyl)-1H-pyrimidin-6-one

C11H7F3N2O240.18 g/molCAS 158715-14-1

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IDENTITY

结构与身份

标准SMILES: O=c1cc(C(F)(F)F)nc(-c2ccccc2)[nH]1
InChIKey: SMUCGWAIODOUCG-UHFFFAOYSA-N
分子式: C11H7F3N2O
平均分子量: 240.18 g/mol
单同位素质量: 240.05104734

COMPUTED

结构计算性质

已同步

XLogP: 1.8
极性表面积: 41.5 Å²
氢键供体: 1
氢键受体: 5
可旋转键: 1
重原子: 17
形式电荷: 0
复杂度: 379

ALIASES

名称与别名

共 33 条

158715-14-14-Hydroxy-2-phenyl-6-(trifluoromethyl)pyrimidineDTXSID40354751RefChem:293179DTXCID103058112-Phenyl-6-(trifluoromethyl)pyrimidin-4(1H)-one2-Phenyl-6-trifluoromethyl-pyrimidin-4-ol2-phenyl-6-(trifluoromethyl)pyrimidin-4-olMFCD002695712-phenyl-4-(trifluoromethyl)-1H-pyrimidin-6-one2-phenyl-6-(trifluoromethyl)-4(3H)-pyrimidinone2-phenyl-6-(trifluoromethyl)-3,4-dihydropyrimidin-4-one4(3H)-Pyrimidinone, 2-phenyl-6-(trifluoromethyl)-2-phenyl-6-(trifluoromethyl)-1H-pyrimidin-4-one2-phenyl-6-(trifluoromethyl)-3H-pyrimidin-4-oneCBDivE_016297MLS000106035SCHEMBL602293SCHEMBL8678449CHEMBL1544232

REACTIONS

参与反应

9 条

uspto-grants-1998_03 · 10.6084/m9.figshare.5104873.v1 · US05726124

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uspto-grants-1998_03 · 10.6084/m9.figshare.5104873.v1 · US05726124

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Training data from https://doi.org/10.1039/C8SC04228D (5/10) · 10.1039/C8SC04228D

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uspto-grants-1994_04 · 10.6084/m9.figshare.5104873.v1 · US05300477

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uspto-grants-1994_04 · 10.6084/m9.figshare.5104873.v1 · US05300477

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

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

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uspto-grants-1995_09 · 10.6084/m9.figshare.5104873.v1 · US05453414

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