5-fluoro-4-hydroxy-1H-pyrimidin-6-one


Chemical Name: 5-fluoro-4-hydroxy-1H-pyrimidin-6-one
CAS Number: 106615-61-6
Product Number: AG003MRH(AGN-PC-0NH963)
Synonyms:
MDL No: MFCD21642024
Molecular Formula: C4H3FN2O2
Molecular Weight: 130.0772

Identification/Properties


Properties
BP:
295.4°C at 760 mmHg
Storage:
Inert atmosphere;2-8℃;
Form:
Solid
Computed Properties
Molecular Weight:
130.078g/mol
XLogP3:
-0.5
Hydrogen Bond Donor Count:
2
Hydrogen Bond Acceptor Count:
4
Rotatable Bond Count:
0
Exact Mass:
130.018g/mol
Monoisotopic Mass:
130.018g/mol
Topological Polar Surface Area:
61.7A^2
Heavy Atom Count:
9
Formal Charge:
0
Complexity:
209
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
1
Compound Is Canonicalized:
Yes

Safety Information


GHS Pictogram:
Signal Word:
Warning
UN#:
-
Hazard Statements:
H302-H315-H319-H335
Precautionary Statements:
P261-P305+P351+P338
Class:
-
Packing Group:
-

NMR Spectrum


Other Analytical Data


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Chemical Structure



The 5-Fluoropyrimidine-4,6-diol is a valuable compound that finds extensive use in chemical synthesis. This compound serves as a versatile building block in the preparation of various biologically active molecules and pharmaceuticals. Its unique structure allows for the introduction of fluorine atoms into organic molecules, thereby enhancing their medicinal properties and bioavailability.In chemical synthesis, 5-Fluoropyrimidine-4,6-diol can be utilized as a precursor in the construction of fluorinated heterocycles, which are crucial in drug discovery and development. By incorporating this compound into the molecular structure, medicinal chemists can modulate the physicochemical properties of the target molecules, such as lipophilicity, metabolic stability, and protein binding affinity.Moreover, the presence of the fluorine atom in the 5-Fluoropyrimidine-4,6-diol moiety can also lead to improved pharmacokinetic profiles of the final compounds, making them more effective and selective in their biological activities. Overall, the strategic use of 5-Fluoropyrimidine-4,6-diol in chemical synthesis offers a pathway to access novel drug candidates with enhanced therapeutic potential.