5-fluoro-2,5-dihydro-1H-pyrimidin-6-one

C4H5FN2O — CID 123163276

IUPAC5-fluoro-2,5-dihydro-1H-pyrimidin-6-one
SMILESO=C1NCN=CC1F
InChIInChI=1S/C4H5FN2O/c5-3-1-6-2-7-4(3)8/h1,3H,2H2,(H,7,8)
InChIKeyMZGXSNNWNYUDGW-UHFFFAOYSA-N
MW116.09 g/mol
LogP-0.52
Rot. Bonds

About 5-fluoro-2,5-dihydro-1H-pyrimidin-6-one

5-fluoro-2,5-dihydro-1H-pyrimidin-6-one (PubChem CID 123163276) has the molecular formula C4H5FN2O and a molecular weight of 116.09 g/mol. Its IUPAC name is 5-fluoro-2,5-dihydro-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-fluoro-2,5-dihydro-1H-pyrimidin-6-one
PubChem CID123163276
Molecular FormulaC4H5FN2O
Molecular Weight116.09 g/mol
Exact Mass116.04
IUPAC Name5-fluoro-2,5-dihydro-1H-pyrimidin-6-one
SMILESO=C1NCN=CC1F
InChIInChI=1S/C4H5FN2O/c5-3-1-6-2-7-4(3)8/h1,3H,2H2,(H,7,8)
InChIKeyMZGXSNNWNYUDGW-UHFFFAOYSA-N
XLogP-0.52
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500116.09
LogP ≤ 5-0.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2,5-dihydro-1H-pyrimidin-6-one?
The IUPAC name of 5-fluoro-2,5-dihydro-1H-pyrimidin-6-one (CID 123163276) is 5-fluoro-2,5-dihydro-1H-pyrimidin-6-one.
What is the SMILES notation for 5-fluoro-2,5-dihydro-1H-pyrimidin-6-one?
The canonical SMILES for 5-fluoro-2,5-dihydro-1H-pyrimidin-6-one is O=C1NCN=CC1F.
What is the InChIKey of 5-fluoro-2,5-dihydro-1H-pyrimidin-6-one?
The InChIKey is MZGXSNNWNYUDGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H5FN2O/c5-3-1-6-2-7-4(3)8/h1,3H,2H2,(H,7,8).
What are the key properties of 5-fluoro-2,5-dihydro-1H-pyrimidin-6-one?
5-fluoro-2,5-dihydro-1H-pyrimidin-6-one has a molecular weight of 116.09 g/mol, XLogP of -0.52, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2,5-dihydro-1H-pyrimidin-6-one is sourced from PubChem (CID 123163276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).