4-fluoro-1-methylpyrimidin-2-one

C5H5FN2O — CID 137381030

IUPAC4-fluoro-1-methylpyrimidin-2-one
SMILESCn1ccc(F)nc1=O
InChIInChI=1S/C5H5FN2O/c1-8-3-2-4(6)7-5(8)9/h2-3H,1H3
InChIKeyLPULSDACNGEPBE-UHFFFAOYSA-N
MW128.11 g/mol
LogP-0.08
Rot. Bonds

About 4-fluoro-1-methylpyrimidin-2-one

4-fluoro-1-methylpyrimidin-2-one (PubChem CID 137381030) has the molecular formula C5H5FN2O and a molecular weight of 128.11 g/mol. Its IUPAC name is 4-fluoro-1-methylpyrimidin-2-one.

Molecular Properties

Compound Name4-fluoro-1-methylpyrimidin-2-one
PubChem CID137381030
Molecular FormulaC5H5FN2O
Molecular Weight128.11 g/mol
Exact Mass128.04
IUPAC Name4-fluoro-1-methylpyrimidin-2-one
SMILESCn1ccc(F)nc1=O
InChIInChI=1S/C5H5FN2O/c1-8-3-2-4(6)7-5(8)9/h2-3H,1H3
InChIKeyLPULSDACNGEPBE-UHFFFAOYSA-N
XLogP-0.08
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.11
LogP ≤ 5-0.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-1-methylpyrimidin-2-one?
The IUPAC name of 4-fluoro-1-methylpyrimidin-2-one (CID 137381030) is 4-fluoro-1-methylpyrimidin-2-one.
What is the SMILES notation for 4-fluoro-1-methylpyrimidin-2-one?
The canonical SMILES for 4-fluoro-1-methylpyrimidin-2-one is Cn1ccc(F)nc1=O.
What is the InChIKey of 4-fluoro-1-methylpyrimidin-2-one?
The InChIKey is LPULSDACNGEPBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5FN2O/c1-8-3-2-4(6)7-5(8)9/h2-3H,1H3.
What are the key properties of 4-fluoro-1-methylpyrimidin-2-one?
4-fluoro-1-methylpyrimidin-2-one has a molecular weight of 128.11 g/mol, XLogP of -0.08, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-1-methylpyrimidin-2-one is sourced from PubChem (CID 137381030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).