Description

5-Fluoropyrimidine-4,6-diol (CAS: 106615-61-6) is a high-purity fluorinated pyrimidine derivative with the molecular formula C₄H₃FN₂O₂. This compound serves as a versatile building block in pharmaceutical and agrochemical research, particularly in the synthesis of nucleoside analogs and enzyme inhibitors. With exceptional stability and reactivity, it is ideal for nucleophilic substitution and cross-coupling reactions. Available in >98% purity (HPLC), it is supplied as a fine white to off-white crystalline powder, ensuring consistency for sensitive applications. Suitable for use in medicinal chemistry, biochemical assays, and material science research. Store under inert conditions at 2-8°C for long-term stability.

Properties

• CAS Number: 106615-61-6
• Complexity: 209
• IUPAC Name: 5-fluoro-4-hydroxy-1H-pyrimidin-6-one
• InChI: InChI=1S/C4H3FN2O2/c5-2-3(8)6-1-7-4(2)9/h1H,(H2,6,7,8,9)
• InChI Key: XGSFAIWGUAFXSG-UHFFFAOYSA-N
• Exact Mass: 130.01785550
• Molecular Formula: C4H3FN2O2
• Molecular Weight: 130.08
• SMILES: C1=NC(=C(C(=O)N1)F)O
• Topological: 61.7
• Monoisotopic Mass: 130.01785550
• Synonyms: 5-Fluoropyrimidine-4,6-diol, 106615-61-6, 5-FLUORO-PYRIMIDINE-4,6-DIOL, 5-Fluoro-6-hydroxypyrimidin-4(3H)-one, 4,6-dihydroxy-5-fluoropyrimidine, 5-fluoro-4-hydroxy-1H-pyrimidin-6-one, MFCD21642024, 4(1H)-Pyrimidinone, 5-fluoro-6-hydroxy-, 5-fluoro-6-hydroxy-3,4-dihydropyrimidin-4-one, MFCD09033260, 5-FLUORO-4,6-DIHYDROXYPYRIMIDINE, SCHEMBL874203, SCHEMBL1456727, DTXSID50457848, XGSFAIWGUAFXSG-UHFFFAOYSA-N, AKOS005254312, AKOS023621518, AKOS028108881, CS-W000796, GS-5764, PB25105, SY024367, 5-FLUORO-6-HYDROXY-4(3H)-PYRIMIDINONE, P12966

5-Fluoropyrimidine-4,6-diol is primarily used in medicinal chemistry as a precursor for fluorinated nucleoside analogs with potential antiviral or antitumor activity. Its reactive hydroxyl and fluorine groups enable selective modifications for targeted drug design. Researchers also employ it in enzyme inhibition studies due to its structural mimicry of natural pyrimidine bases. In agrochemical development, it serves as a key intermediate for herbicidal and fungicidal compounds.

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