2-Amino-4-(trifluoromethyl)pyrimidine-5-carboxylic acid

• Catalog: OFC149771233
• CAS: 149771-23-3
• Category: Fluorinated Pyrimidines
• Synonyms: 5-Pyrimidinecarboxylic acid, 2-amino-4-(trifluoromethyl)-
• Purity: 95%
• MDL Number: MFCD04126131

• IUPAC Name: 2-amino-4-(trifluoromethyl)pyrimidine-5-carboxylic acid
• InChI: InChI=1S/C6H4F3N3O2/c7-6(8,9)3-2(4(13)14)1-11-5(10)12-3/h1H,(H,13,14)(H2,10,11,12)
• InChI Key: MBDZXCJGXZAHMC-UHFFFAOYSA-N
• Isomeric SMILES: C1=C(C(=NC(=N1)N)C(F)(F)F)C(=O)O

• Molecular Formula: C6H4F3N3O2
• Molecular Weight: 207.11
• Melting Point: 286-289 °C

• XLogP3-AA: 0.3
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 1
• Exact Mass: 207.02556087 g/mol
• Monoisotopic Mass: 207.02556087 g/mol
• Topological Polar Surface Area: 89.1Ų
• Heavy Atom Count: 14
• Formal Charge: 0
• Complexity: 233