1-[2-Fluoro-6-(trifluoromethyl)benzyl]-5-iodo-6-methylpyrimidine-2,4(1H,3H)-dione

C₁₃H₉F₄IN₂O₂CAS 1150560-54-5428.13 g/mol

Open in Covalent MOL file

Alkyl halide Aryl halide

Properties

Molecular formula: C₁₃H₉F₄IN₂O₂
Molar mass: 428.13 g/mol
Exact mass: 427.9645 Da
logP: 2.66Crippen estimate
Polar surface area: 54.9 Å²
H-bond donors / acceptors: 1 / 2
Rotatable bonds: 2

Identifiers

CAS number

1150560-54-5

SMILES

CC1=C(C(=O)NC(=O)N1CC2=C(C=CC=C2F)C(F)(F)F)I

InChIKey

TZBUKGISILNJCR-UHFFFAOYSA-N

InChI

InChI=1S/C13H9F4IN2O2/c1-6-10(18)11(21)19-12(22)20(6)5-7-8(13(15,16)17)3-2-4-9(7)14/h2-4H,5H2,1H3,(H,19,21,22)

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Work with 1-[2-Fluoro-6-(trifluoromethyl)benzyl]-5-iodo-6-methylpyrimidine-2,4(1H,3H)-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

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-methyl-2,4(1H,3H)-pyrimidinedione830346-47-948 % similar 2-(Bromomethyl)-1-fluoro-3-(trifluoromethyl)benzene239087-08-240 % similar 1,2-Difluoro-3-(trifluoromethyl)benzene64248-59-535 % similar Elagolix834153-87-633 % similar 2-Fluorobenzotrifluoride392-85-832 % similar 2-Bromo-3-fluorobenzotrifluoride104540-42-331 % similar 2-Fluoro-6-(trifluoromethyl)benzoyl chloride109227-12-531 % similar

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

Elsewhere

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