2-(Methylsulfanyl)-6-(trifluoromethyl)pyrimidin-4-ol

C₆H₅F₃N₂OSCAS 16097-62-4210.17 g/mol

Open in Covalent MOL file

Alkyl halide Sulfide

Properties

Molecular formula: C₆H₅F₃N₂OS
Molar mass: 210.17 g/mol
Exact mass: 210.0075 Da
logP: 1.51Crippen estimate
Polar surface area: 45.8 Å²
H-bond donors / acceptors: 1 / 3
Rotatable bonds: 1

Identifiers

CAS number

16097-62-4

SMILES

CSC1=NC(=CC(=O)N1)C(F)(F)F

InChIKey

BRLPDRZKOMZVOY-UHFFFAOYSA-N

InChI

InChI=1S/C6H5F3N2OS/c1-13-5-10-3(6(7,8)9)2-4(12)11-5/h2H,1H3,(H,10,11,12)

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Names and synonyms

1 names

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

Work with 2-(Methylsulfanyl)-6-(trifluoromethyl)pyrimidin-4-ol

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

4-Amino-2-(methylthio)-6-pyrimidinol1074-41-557 % similar 4-(1,1-Dimethylethyl)-6-(trifluoromethyl)-2-pyrimidinamine238742-83-136 % similar 6-Chloro-2-(methylthio)pyrimidin-4-amine1005-38-536 % similar 2-(Methylthio)-4,6-pyrimidinediamine1005-39-636 % similar 2-(Methylthio)benzimidazole7152-24-134 % similar 1-Methyl-5-(trifluoromethyl)-1H-pyrazol-3-ol119022-51-433 % similar Terbutryn886-50-032 % similar Simetryn1014-70-631 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

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