5-(2-Fluoro-3-methoxyphenyl)-1-[[2-fluoro-6-(trifluoromethyl)phenyl]methyl]-6-methyl-2,4(1H,3H)-pyrimidinedione

C₂₀H₁₅F₅N₂O₃CAS 1150560-59-0426.34 g/mol

Open in Covalent MOL file

Alkyl halide Aryl halide Ether

Properties

Molecular formula: C₂₀H₁₅F₅N₂O₃
Molar mass: 426.34 g/mol
Exact mass: 426.1003 Da
logP: 3.87Crippen estimate
Polar surface area: 64.1 Å²
H-bond donors / acceptors: 1 / 3
Rotatable bonds: 4

Identifiers

CAS number

1150560-59-0

SMILES

CC1=C(C(=O)NC(=O)N1CC2=C(C=CC=C2F)C(F)(F)F)C3=C(C(=CC=C3)OC)F

InChIKey

RKWZHFVZKOVXSK-UHFFFAOYSA-N

InChI

InChI=1S/C20H15F5N2O3/c1-10-16(11-5-3-8-15(30-2)17(11)22)18(28)26-19(29)27(10)9-12-13(20(23,24)25)6-4-7-14(12)21/h3-8H,9H2,1-2H3,(H,26,28,29)

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Work with 5-(2-Fluoro-3-methoxyphenyl)-1-[[2-fluoro-6-(trifluoromethyl)phenyl]methyl]-6-methyl-2,4(1H,3H)-pyrimidinedione

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)-dione1150560-54-562 % similar Elagolix834153-87-652 % similar 1-[[2-Fluoro-6-(trifluoromethyl)phenyl]methyl]-6-methyl-2,4(1H,3H)-pyrimidinedione830346-47-941 % similar 1,2-Difluoro-3-methoxybenzene134364-69-535 % similar 1,2-Difluoro-3-(trifluoromethyl)benzene64248-59-533 % similar 2-(Bromomethyl)-1-fluoro-3-(trifluoromethyl)benzene239087-08-233 % similar

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

Elsewhere

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