chempirical

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

C6H5F3N2OCAS 2836-44-4178.11 g/mol

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NOHNFFF
Alkyl halide

Properties

Molecular formula
C6H5F3N2O
Molar mass
178.11 g/mol
Exact mass
178.0354 Da
logP
1.10Crippen estimate
Polar surface area
45.8 Ų
H-bond donors / acceptors
1 / 2
Rotatable bonds
0

Hazards

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

Identifiers

CAS number
2836-44-4
SMILES
CC1=NC(=CC(=O)N1)C(F)(F)F
InChIKey
DBDRDWKBAGNHHS-UHFFFAOYSA-N
InChI
InChI=1S/C6H5F3N2O/c1-3-10-4(6(7,8)9)2-5(12)11-3/h2H,1H3,(H,10,11,12)

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Names and synonyms

1 names
  • 4-Hydroxy-2-methyl-6-trifluoromethylpyrimidine

Work with 4-Hydroxy-2-methyl-6-(trifluoromethyl)pyrimidine

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

2-Amino-4-hydroxy-6-trifluoromethylpyrimidine1513-69-565 % similar 2-(Methylsulfanyl)-6-(trifluoromethyl)pyrimidin-4-ol16097-62-461 % similar 6-Methyl-4-(trifluoromethyl)-2(1H)-pyridone22123-19-950 % similar 4-Hydroxy-6-(trifluoromethyl)pyrimidine1546-78-747 % similar 4-Hydroxy-6-methoxymethyl-2-methylpyrimidine38249-50-245 % similar 2-(Trifluoromethyl)pyrimidine-4,6-diol672-47-944 % similar 6-(Trifluoromethyl)-2,3-dihydropyridazin-3-one174607-36-441 % similar 6-(Trifluoromethyl)uracil672-45-741 % similar

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

Elsewhere

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