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

C6H5F3N2OSCAS 16097-62-4210.17 g/mol

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SNOHNFFF
Alkyl halideSulfide

Properties

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

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless.

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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-Hydroxy-2-methyl-6-(trifluoromethyl)pyrimidine2836-44-461 % similar 4-Amino-2-(methylthio)-6-pyrimidinol1074-41-557 % similar 2-Amino-4-hydroxy-6-trifluoromethylpyrimidine1513-69-557 % similar 4-Hydroxy-6-(trifluoromethyl)pyrimidine1546-78-745 % similar 4-Chloro-2-(methylsulfanyl)-6-(trifluoromethyl)pyrimidine16097-63-541 % similar 2-(Trifluoromethyl)pyrimidine-4,6-diol672-47-941 % similar 6-Methyl-4-(trifluoromethyl)-2(1H)-pyridone22123-19-940 % similar 6-(Trifluoromethyl)-2,3-dihydropyridazin-3-one174607-36-438 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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