5-Fluoro-6-(phenylamino)pyrimidine-2,4(1H,3H)-dione

• Catalog: OFC105950490
• CAS: 105950-49-0
• Category: Fluorinated Pyrimidines
• Synonyms: 6-Anilino-5-fluoropyrimidine-2,4(1H,3H)-dione
• Purity: 97%

• IUPAC Name: 6-anilino-5-fluoro-1H-pyrimidine-2,4-dione
• InChI: InChI=1S/C10H8FN3O2/c11-7-8(13-10(16)14-9(7)15)12-6-4-2-1-3-5-6/h1-5H,(H3,12,13,14,15,16)
• InChI Key: VQTFTCIDQPCDHI-UHFFFAOYSA-N
• Isomeric SMILES: C1=CC=C(C=C1)NC2=C(C(=O)NC(=O)N2)F

• Molecular Formula: C10H8FN3O2
• Molecular Weight: 221.19

• XLogP3-AA: 1.1
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 221.06005467 g/mol
• Monoisotopic Mass: 221.06005467 g/mol
• Topological Polar Surface Area: 70.2Ų
• Heavy Atom Count: 16
• Formal Charge: 0
• Complexity: 348