5-Fluoro-1-(hexylcarbamoyl)uracil

• Catalog: OFC61422455
• CAS: 61422-45-5
• Category: Fluorinated Pyrimidines
• Synonyms: HCFUTM; 3,4-Dihydro-2,4-dioxo-5-fluoro-N-hexylpyrimidine-1(2H)-carboxamide
• Purity: 95%
• MDL Number: MFCD00866284

• IUPAC Name: 5-fluoro-N-hexyl-2,4-dioxopyrimidine-1-carboxamide
• InChI: InChI=1S/C11H16FN3O3/c1-2-3-4-5-6-13-10(17)15-7-8(12)9(16)14-11(15)18/h7H,2-6H2,1H3,(H,13,17)(H,14,16,18)
• InChI Key: AOCCBINRVIKJHY-UHFFFAOYSA-N
• Isomeric SMILES: CCCCCCNC(=O)N1C=C(C(=O)NC1=O)F

• Molecular Formula: C11H16FN3O3
• Molecular Weight: 257.26
• Melting Point: 110-111 °C
• Density: 1.26 g/cm3

• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 5
• Exact Mass: 257.11756954 g/mol
• Monoisotopic Mass: 257.11756954 g/mol
• Topological Polar Surface Area: 78.5Ų
• Heavy Atom Count: 18
• Formal Charge: 0
• Complexity: 382