5-(5-acetyl-2-fluorophenyl)-1H-pyrimidin-6-one

C12H9FN2O2 — CID 122358564

IUPAC5-(5-acetyl-2-fluorophenyl)-1H-pyrimidin-6-one
SMILESCC(=O)c1ccc(F)c(-c2cnc[nH]c2=O)c1
InChIInChI=1S/C12H9FN2O2/c1-7(16)8-2-3-11(13)9(4-8)10-5-14-6-15-12(10)17/h2-6H,1H3,(H,14,15,17)
InChIKeyLIFNJJGUKYRDKE-UHFFFAOYSA-N
MW232.21 g/mol
LogP1.78
Rot. Bonds2

About 5-(5-acetyl-2-fluorophenyl)-1H-pyrimidin-6-one

5-(5-acetyl-2-fluorophenyl)-1H-pyrimidin-6-one (PubChem CID 122358564) has the molecular formula C12H9FN2O2 and a molecular weight of 232.21 g/mol. Its IUPAC name is 5-(5-acetyl-2-fluorophenyl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-(5-acetyl-2-fluorophenyl)-1H-pyrimidin-6-one
PubChem CID122358564
Molecular FormulaC12H9FN2O2
Molecular Weight232.21 g/mol
Exact Mass232.06
IUPAC Name5-(5-acetyl-2-fluorophenyl)-1H-pyrimidin-6-one
SMILESCC(=O)c1ccc(F)c(-c2cnc[nH]c2=O)c1
InChIInChI=1S/C12H9FN2O2/c1-7(16)8-2-3-11(13)9(4-8)10-5-14-6-15-12(10)17/h2-6H,1H3,(H,14,15,17)
InChIKeyLIFNJJGUKYRDKE-UHFFFAOYSA-N
XLogP1.78
TPSA62.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.21
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-(3-acetylphenyl)-1H-pyrimidin-6-one
CID 122200465
1-(4-fluoro-3-pyridin-3-ylphenyl)ethanone
CID 82541383
3-fluoro-5-(6-oxo-1H-pyrimidin-5-yl)benzoic acid
CID 106522847
5-(2,4-difluoro-5-nitrophenyl)-1H-pyrimidin-6-one
CID 122358515
1-(4-fluoro-3-quinolin-8-ylphenyl)ethanone
CID 82540926
1-[3-(3-chlorothiophen-2-yl)-4-fluorophenyl]ethanone
CID 107360532
1-[4-fluoro-3-(4-methyl-2-pyridinyl)phenyl]ethanone
CID 177459934
5-(2-fluoro-5-methoxycarbonylphenyl)-6-oxo-1H-pyridine-3-carboxylic acid
CID 53224136
7-acetyl-5-(2-fluorophenyl)-3,3-dimethyl-1H-1,4-benzodiazepin-2-one
CID 20542087
5-(2-methylthiophen-3-yl)-1H-pyrimidin-6-one
CID 106522710
1-[3-(2-fluoro-5-methylphenyl)phenyl]ethanone
CID 54912743
ethyl 2-(6-oxo-1H-pyrimidin-5-yl)benzoate
CID 122358525

Frequently Asked Questions

What is the IUPAC name of 5-(5-acetyl-2-fluorophenyl)-1H-pyrimidin-6-one?
The IUPAC name of 5-(5-acetyl-2-fluorophenyl)-1H-pyrimidin-6-one (CID 122358564) is 5-(5-acetyl-2-fluorophenyl)-1H-pyrimidin-6-one.
What is the SMILES notation for 5-(5-acetyl-2-fluorophenyl)-1H-pyrimidin-6-one?
The canonical SMILES for 5-(5-acetyl-2-fluorophenyl)-1H-pyrimidin-6-one is CC(=O)c1ccc(F)c(-c2cnc[nH]c2=O)c1.
What is the InChIKey of 5-(5-acetyl-2-fluorophenyl)-1H-pyrimidin-6-one?
The InChIKey is LIFNJJGUKYRDKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9FN2O2/c1-7(16)8-2-3-11(13)9(4-8)10-5-14-6-15-12(10)17/h2-6H,1H3,(H,14,15,17).
What are the key properties of 5-(5-acetyl-2-fluorophenyl)-1H-pyrimidin-6-one?
5-(5-acetyl-2-fluorophenyl)-1H-pyrimidin-6-one has a molecular weight of 232.21 g/mol, XLogP of 1.78, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-acetyl-2-fluorophenyl)-1H-pyrimidin-6-one is sourced from PubChem (CID 122358564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).