5-(2-Fluoro-3-methoxyphenyl)-1-(2-fluoro-6-(trifluoromethyl)benzyl)-6-methylpyrimidine-2,4(1H,3H)-dione

• Catalog: OFC1150560590
• CAS: 1150560-59-0
• Category: Fluorinated Pyrimidines
• Synonyms: 2,4(1H,3H)-Pyrimidinedione, 5-(2-fluoro-3-methoxyphenyl)-1-[[2-fluoro-6-(trifluoromethyl)phenyl]methyl]-6-methyl-
• Purity: 97%
• MDL Number: MFCD30570283

• IUPAC Name: 5-(2-fluoro-3-methoxyphenyl)-1-[[2-fluoro-6-(trifluoromethyl)phenyl]methyl]-6-methylpyrimidine-2,4-dione
• 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)
• InChI Key: RKWZHFVZKOVXSK-UHFFFAOYSA-N
• Isomeric SMILES: CC1=C(C(=O)NC(=O)N1CC2=C(C=CC=C2F)C(F)(F)F)C3=C(C(=CC=C3)OC)F
• EC Number: 855-578-4

• Molecular Formula: C20H15F5N2O3
• Molecular Weight: 426.34
• Storage: Sealed in dry, room temperature

• XLogP3-AA: 3.8
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 4
• Exact Mass: 426.10028316 g/mol
• Monoisotopic Mass: 426.10028316 g/mol
• Topological Polar Surface Area: 58.6Ų
• Heavy Atom Count: 30
• Formal Charge: 0
• Complexity: 711