1-acetyl-5-fluoropyrimidin-2-one

C6H5FN2O2 — CID 59306217

IUPAC1-acetyl-5-fluoropyrimidin-2-one
SMILESCC(=O)n1cc(F)cnc1=O
InChIInChI=1S/C6H5FN2O2/c1-4(10)9-3-5(7)2-8-6(9)11/h2-3H,1H3
InChIKeyONIOSOZNKIDMAZ-UHFFFAOYSA-N
MW156.12 g/mol
LogP0.04
Rot. Bonds

About 1-acetyl-5-fluoropyrimidin-2-one

1-acetyl-5-fluoropyrimidin-2-one (PubChem CID 59306217) has the molecular formula C6H5FN2O2 and a molecular weight of 156.12 g/mol. Its IUPAC name is 1-acetyl-5-fluoropyrimidin-2-one.

Molecular Properties

Compound Name1-acetyl-5-fluoropyrimidin-2-one
PubChem CID59306217
Molecular FormulaC6H5FN2O2
Molecular Weight156.12 g/mol
Exact Mass156.03
IUPAC Name1-acetyl-5-fluoropyrimidin-2-one
SMILESCC(=O)n1cc(F)cnc1=O
InChIInChI=1S/C6H5FN2O2/c1-4(10)9-3-5(7)2-8-6(9)11/h2-3H,1H3
InChIKeyONIOSOZNKIDMAZ-UHFFFAOYSA-N
XLogP0.04
TPSA51.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.12
LogP ≤ 50.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(cyclobutylamino)-5-fluoropyrimidin-2-one
CID 142784794
1-[2-(2,4-difluorophenyl)-2-oxoethyl]-5-methylpyrimidin-2-one
CID 55164000
1-[3-(5-fluoro-2-pyridinyl)azetidin-1-yl]ethanone
CID 126758640
2-methyl-4-(5-methyl-2-oxopyrimidin-1-yl)but-2-enoic acid
CID 77074597
1-[4-(4-chloro-5-fluoropyrimidin-2-yl)-2-propan-2-ylimidazol-1-yl]ethanone
CID 158083569
4-(5-fluoropyrimidin-2-yl)-1-methylpyrazole-3-carboxylic acid
CID 127255845
1-acetyl-N-(5-fluoro-2-pyridinyl)piperidine-4-carboxamide
CID 163343949
6-(4-fluoropyrazol-1-yl)pyridine-3-carboxylic acid;1-[6-(4-fluoropyrazol-1-yl)-3-pyridinyl]ethanone
CID 164997926
1-[(2R)-2-[[(5-fluoropyrimidin-2-yl)amino]methyl]morpholin-4-yl]ethanone
CID 125440889
1-(5-fluoro-2-pyridinyl)-2-methylpropan-1-one
CID 58180918
tert-butyl 2-(5-fluoropyrimidin-2-yl)acetate
CID 121231620
1-(5-fluoropyrimidin-2-yl)imidazole-4-carboxylic acid
CID 104606538

Frequently Asked Questions

What is the IUPAC name of 1-acetyl-5-fluoropyrimidin-2-one?
The IUPAC name of 1-acetyl-5-fluoropyrimidin-2-one (CID 59306217) is 1-acetyl-5-fluoropyrimidin-2-one.
What is the SMILES notation for 1-acetyl-5-fluoropyrimidin-2-one?
The canonical SMILES for 1-acetyl-5-fluoropyrimidin-2-one is CC(=O)n1cc(F)cnc1=O.
What is the InChIKey of 1-acetyl-5-fluoropyrimidin-2-one?
The InChIKey is ONIOSOZNKIDMAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5FN2O2/c1-4(10)9-3-5(7)2-8-6(9)11/h2-3H,1H3.
What are the key properties of 1-acetyl-5-fluoropyrimidin-2-one?
1-acetyl-5-fluoropyrimidin-2-one has a molecular weight of 156.12 g/mol, XLogP of 0.04, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-acetyl-5-fluoropyrimidin-2-one is sourced from PubChem (CID 59306217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).