Methyl 2,6-dioxo-5-(trifluoromethyl)-1,2,3,6-tetrahydropyrimidine-4-carboxylate

• Catalog: OFC936476630
• CAS: 936476-63-0
• Category: Fluorinated Pyrimidines
• Synonyms: Methyl 2,6-dihydroxy-5-(trifluoromethyl)pyrimidine-4-carboxylate
• MDL Number: MFCD12922685

• IUPAC Name: methyl 2,4-dioxo-5-(trifluoromethyl)-1H-pyrimidine-6-carboxylate
• InChI: InChI=1S/C7H5F3N2O4/c1-16-5(14)3-2(7(8,9)10)4(13)12-6(15)11-3/h1H3,(H2,11,12,13,15)
• InChI Key: QFXXWPHKTCKNSF-UHFFFAOYSA-N
• Isomeric SMILES: COC(=O)C1=C(C(=O)NC(=O)N1)C(F)(F)F

• Molecular Formula: C7H5F3N2O4
• Molecular Weight: 238.12

• XLogP3-AA: 0
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 2
• Exact Mass: 238.02014113 g/mol
• Monoisotopic Mass: 238.02014113 g/mol
• Topological Polar Surface Area: 84.5Ų
• Heavy Atom Count: 16
• Formal Charge: 0
• Complexity: 399