6-Ethyl-5-(4-fluoro-3-nitrophenyl)pyrimidine-2,4-diamine

• Catalog: OFC113494352
• CAS: 113494-35-2
• Category: Fluorinated Pyrimidines
• Synonyms: 4'-Fluoro-3'-nitropyrimethamine
• Purity: 97%

• IUPAC Name: 6-ethyl-5-(4-fluoro-3-nitrophenyl)pyrimidine-2,4-diamine
• InChI: InChI=1S/C12H12FN5O2/c1-2-8-10(11(14)17-12(15)16-8)6-3-4-7(13)9(5-6)18(19)20/h3-5H,2H2,1H3,(H4,14,15,16,17)
• InChI Key: WZOOFTLTBYMEDU-UHFFFAOYSA-N
• Isomeric SMILES: CCC1=C(C(=NC(=N1)N)N)C2=CC(=C(C=C2)F)[N+](=O)[O-]

• Molecular Formula: C12H12FN5O2
• Molecular Weight: 277.26

• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 2
• Exact Mass: 277.09750280 g/mol
• Monoisotopic Mass: 277.09750280 g/mol
• Topological Polar Surface Area: 124Ų
• Heavy Atom Count: 20
• Formal Charge: 0
• Complexity: 353