3-fluoro-1,6-dihydropyrimidin-2-one

C4H5FN2O — CID 171483163

IUPAC3-fluoro-1,6-dihydropyrimidin-2-one
SMILESO=C1NCC=CN1F
InChIInChI=1S/C4H5FN2O/c5-7-3-1-2-6-4(7)8/h1,3H,2H2,(H,6,8)
InChIKeyXPZOXACQKZDGMG-UHFFFAOYSA-N
MW116.09 g/mol
LogP0.41
Rot. Bonds

About 3-fluoro-1,6-dihydropyrimidin-2-one

3-fluoro-1,6-dihydropyrimidin-2-one (PubChem CID 171483163) has the molecular formula C4H5FN2O and a molecular weight of 116.09 g/mol. Its IUPAC name is 3-fluoro-1,6-dihydropyrimidin-2-one.

Molecular Properties

Compound Name3-fluoro-1,6-dihydropyrimidin-2-one
PubChem CID171483163
Molecular FormulaC4H5FN2O
Molecular Weight116.09 g/mol
Exact Mass116.04
IUPAC Name3-fluoro-1,6-dihydropyrimidin-2-one
SMILESO=C1NCC=CN1F
InChIInChI=1S/C4H5FN2O/c5-7-3-1-2-6-4(7)8/h1,3H,2H2,(H,6,8)
InChIKeyXPZOXACQKZDGMG-UHFFFAOYSA-N
XLogP0.41
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500116.09
LogP ≤ 50.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-1,6-dihydropyrimidin-2-one?
The IUPAC name of 3-fluoro-1,6-dihydropyrimidin-2-one (CID 171483163) is 3-fluoro-1,6-dihydropyrimidin-2-one.
What is the SMILES notation for 3-fluoro-1,6-dihydropyrimidin-2-one?
The canonical SMILES for 3-fluoro-1,6-dihydropyrimidin-2-one is O=C1NCC=CN1F.
What is the InChIKey of 3-fluoro-1,6-dihydropyrimidin-2-one?
The InChIKey is XPZOXACQKZDGMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H5FN2O/c5-7-3-1-2-6-4(7)8/h1,3H,2H2,(H,6,8).
What are the key properties of 3-fluoro-1,6-dihydropyrimidin-2-one?
3-fluoro-1,6-dihydropyrimidin-2-one has a molecular weight of 116.09 g/mol, XLogP of 0.41, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-1,6-dihydropyrimidin-2-one is sourced from PubChem (CID 171483163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).