3-Butyl-5-fluoropyrimidine-2,4(1H,3H)-dione

• Catalog: OFC90162962
• CAS: 90162-96-2
• Category: Fluorinated Pyrimidines
• Synonyms: 3-butyl-5-fluoro-uracil
• Purity: 97%

• IUPAC Name: 3-butyl-5-fluoro-1H-pyrimidine-2,4-dione
• InChI: InChI=1S/C8H11FN2O2/c1-2-3-4-11-7(12)6(9)5-10-8(11)13/h5H,2-4H2,1H3,(H,10,13)
• InChI Key: GZNITQBWHCJRKI-UHFFFAOYSA-N
• Isomeric SMILES: CCCCN1C(=O)C(=CNC1=O)F

• Molecular Formula: C8H11FN2O2
• Molecular Weight: 186.19

• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 186.08045576 g/mol
• Monoisotopic Mass: 186.08045576 g/mol
• Topological Polar Surface Area: 49.4Ų
• Heavy Atom Count: 13
• Formal Charge: 0
• Complexity: 263