chempirical

5-Bromo-1-(2-fluoro-6-trifluoromethyl-benzyl)-6-methyl-1H-pyrimidine-2,4-dione

C13H9BrF4N2O2CAS 830346-48-0381.12 g/mol

Open in Covalent MOL file
ONHONFFFFBr
Alkyl halideAryl halide

Properties

Molecular formula
C13H9BrF4N2O2
Molar mass
381.12 g/mol
Exact mass
379.9784 Da
logP
2.81Crippen estimate
Polar surface area
54.9 Ų
H-bond donors / acceptors
1 / 2
Rotatable bonds
2

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
830346-48-0
SMILES
CC1=C(C(=O)NC(=O)N1CC2=C(C=CC=C2F)C(F)(F)F)Br
InChIKey
RDQPTRWUBKZZFJ-UHFFFAOYSA-N
InChI
InChI=1S/C13H9BrF4N2O2/c1-6-10(14)11(21)19-12(22)20(6)5-7-8(13(16,17)18)3-2-4-9(7)15/h2-4H,5H2,1H3,(H,19,21,22)

Weigh it out

Type any one amount. The others follow from the molar mass.

Work with 5-Bromo-1-(2-fluoro-6-trifluoromethyl-benzyl)-6-methyl-1H-pyrimidine-2,4-dione

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

1-[2-Fluoro-6-(trifluoromethyl)benzyl]-5-iodo-6-methylpyrimidine-2,4(1H,3H)-dione1150560-54-574 % similar 5-(2-Fluoro-3-methoxyphenyl)-1-[[2-fluoro-6-(trifluoromethyl)phenyl]methyl]-6-methyl-2,4(1H,3H)-pyrimidinedione1150560-59-062 % similar 1-[[2-Fluoro-6-(trifluoromethyl)phenyl]methyl]-6-methylpyrimidine-2,4-dione830346-47-948 % similar 2-(Bromomethyl)-1-fluoro-3-(trifluoromethyl)benzene239087-08-242 % similar 2-Bromo-3-fluorobenzotrifluoride104540-42-342 % similar 2-Fluoro-6-(trifluoromethyl)phenylacetonitrile179946-34-040 % similar 2-Fluoro-6-(trifluoromethyl)benzyl alcohol152211-15-940 % similar 2-Fluoro-6-(trifluoromethyl)benzylamine239087-06-040 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook