2-fluoro-2-hydroxy-1,3-dihydropyrimidin-4-one

C4H5FN2O2 — CID 55299036

IUPAC2-fluoro-2-hydroxy-1,3-dihydropyrimidin-4-one
SMILESO=C1C=CNC(O)(F)N1
InChIInChI=1S/C4H5FN2O2/c5-4(9)6-2-1-3(8)7-4/h1-2,6,9H,(H,7,8)
InChIKeyKZIVPYKHVYCDFO-UHFFFAOYSA-N
MW132.09 g/mol
LogP-1.21
Rot. Bonds

About 2-fluoro-2-hydroxy-1,3-dihydropyrimidin-4-one

2-fluoro-2-hydroxy-1,3-dihydropyrimidin-4-one (PubChem CID 55299036) has the molecular formula C4H5FN2O2 and a molecular weight of 132.09 g/mol. Its IUPAC name is 2-fluoro-2-hydroxy-1,3-dihydropyrimidin-4-one.

Molecular Properties

Compound Name2-fluoro-2-hydroxy-1,3-dihydropyrimidin-4-one
PubChem CID55299036
Molecular FormulaC4H5FN2O2
Molecular Weight132.09 g/mol
Exact Mass132.03
IUPAC Name2-fluoro-2-hydroxy-1,3-dihydropyrimidin-4-one
SMILESO=C1C=CNC(O)(F)N1
InChIInChI=1S/C4H5FN2O2/c5-4(9)6-2-1-3(8)7-4/h1-2,6,9H,(H,7,8)
InChIKeyKZIVPYKHVYCDFO-UHFFFAOYSA-N
XLogP-1.21
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500132.09
LogP ≤ 5-1.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-2-hydroxy-1,3-dihydropyrimidin-4-one?
The IUPAC name of 2-fluoro-2-hydroxy-1,3-dihydropyrimidin-4-one (CID 55299036) is 2-fluoro-2-hydroxy-1,3-dihydropyrimidin-4-one.
What is the SMILES notation for 2-fluoro-2-hydroxy-1,3-dihydropyrimidin-4-one?
The canonical SMILES for 2-fluoro-2-hydroxy-1,3-dihydropyrimidin-4-one is O=C1C=CNC(O)(F)N1.
What is the InChIKey of 2-fluoro-2-hydroxy-1,3-dihydropyrimidin-4-one?
The InChIKey is KZIVPYKHVYCDFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H5FN2O2/c5-4(9)6-2-1-3(8)7-4/h1-2,6,9H,(H,7,8).
What are the key properties of 2-fluoro-2-hydroxy-1,3-dihydropyrimidin-4-one?
2-fluoro-2-hydroxy-1,3-dihydropyrimidin-4-one has a molecular weight of 132.09 g/mol, XLogP of -1.21, 0 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-2-hydroxy-1,3-dihydropyrimidin-4-one is sourced from PubChem (CID 55299036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).