2-Amino-3-methyl-6-(trifluoromethyl)-3,4-dihydropyrimidin-4-one

• Catalog: OFC216016318
• CAS: 216016-31-8
• Category: Fluorinated Pyrimidines
• Synonyms: 2-amino-3-methyl-6-(trifluoromethyl)-4(3H)-pyrimidinone
• Purity: tech
• MDL Number: MFCD01936471

• IUPAC Name: 2-amino-3-methyl-6-(trifluoromethyl)pyrimidin-4-one
• InChI: InChI=1S/C6H6F3N3O/c1-12-4(13)2-3(6(7,8)9)11-5(12)10/h2H,1H3,(H2,10,11)
• InChI Key: HILJAKYDYCKBTC-UHFFFAOYSA-N
• Isomeric SMILES: CN1C(=O)C=C(N=C1N)C(F)(F)F

• Molecular Formula: C6H6F3N3O
• Molecular Weight: 193.13

• XLogP3-AA: -0.2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 0
• Exact Mass: 193.04629631 g/mol
• Monoisotopic Mass: 193.04629631 g/mol
• Topological Polar Surface Area: 58.7Ų
• Heavy Atom Count: 13
• Formal Charge: 0
• Complexity: 305