1-[3-(4-fluorophenyl)-2-oxopropyl]-4,6-dimethylpyrimidin-2-one

C15H15FN2O2 — CID 62018428

IUPAC1-[3-(4-fluorophenyl)-2-oxopropyl]-4,6-dimethylpyrimidin-2-one
SMILESCc1cc(C)n(CC(=O)Cc2ccc(F)cc2)c(=O)n1
InChIInChI=1S/C15H15FN2O2/c1-10-7-11(2)18(15(20)17-10)9-14(19)8-12-3-5-13(16)6-4-12/h3-7H,8-9H2,1-2H3
InChIKeyKNFSFXGMIBPMEV-UHFFFAOYSA-N
MW274.30 g/mol
LogP1.81
Rot. Bonds4

About 1-[3-(4-fluorophenyl)-2-oxopropyl]-4,6-dimethylpyrimidin-2-one

1-[3-(4-fluorophenyl)-2-oxopropyl]-4,6-dimethylpyrimidin-2-one (PubChem CID 62018428) has the molecular formula C15H15FN2O2 and a molecular weight of 274.30 g/mol. Its IUPAC name is 1-[3-(4-fluorophenyl)-2-oxopropyl]-4,6-dimethylpyrimidin-2-one.

Molecular Properties

Compound Name1-[3-(4-fluorophenyl)-2-oxopropyl]-4,6-dimethylpyrimidin-2-one
PubChem CID62018428
Molecular FormulaC15H15FN2O2
Molecular Weight274.30 g/mol
Exact Mass274.11
IUPAC Name1-[3-(4-fluorophenyl)-2-oxopropyl]-4,6-dimethylpyrimidin-2-one
SMILESCc1cc(C)n(CC(=O)Cc2ccc(F)cc2)c(=O)n1
InChIInChI=1S/C15H15FN2O2/c1-10-7-11(2)18(15(20)17-10)9-14(19)8-12-3-5-13(16)6-4-12/h3-7H,8-9H2,1-2H3
InChIKeyKNFSFXGMIBPMEV-UHFFFAOYSA-N
XLogP1.81
TPSA51.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.30
LogP ≤ 51.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-Ethyl-3-(4-fluorophenyl)pyrazin-2-one
CID 44477229
1-[(2E)-6-ethyl-2-[2-(2-fluorophenyl)prop-2-enylidene]-1-methylpyrimidin-4-yl]heptan-1-one
CID 166805414
1-[3-(2-Fluorophenyl)-2-oxopropyl]-5-methylpyrimidin-2-one
CID 55161277
1-[2-(2,6-Difluorophenyl)-2-oxoethyl]-5-methylpyrimidin-2-one
CID 55161470
1-[2-(2,4-Difluorophenyl)-2-oxoethyl]-5-methylpyrimidin-2-one
CID 55164000
1-[2-(4-Fluorophenyl)-2-oxoethyl]-5-methylpyrimidin-2-one
CID 55218433
1-[4-(4-Fluorophenyl)-4-oxobutyl]pyrimidin-2-one
CID 61226042
1-[2-(4-Fluorophenyl)-2-oxoethyl]pyrimidin-2-one
CID 61226044
1-[2-(3,4-Difluorophenyl)-2-oxoethyl]-4,6-dimethylpyrimidin-2-one
CID 62016948
1-[2-(2,6-Difluorophenyl)-2-oxoethyl]-4,6-dimethylpyrimidin-2-one
CID 62017308
1-[2-(3-Fluorophenyl)-2-oxoethyl]-4,6-dimethylpyrimidin-2-one
CID 62017503
1-[2-(3-Fluorophenyl)-2-oxoethyl]pyrimidin-2-one
CID 62017509

Frequently Asked Questions

What is the IUPAC name of 1-[3-(4-fluorophenyl)-2-oxopropyl]-4,6-dimethylpyrimidin-2-one?
The IUPAC name of 1-[3-(4-fluorophenyl)-2-oxopropyl]-4,6-dimethylpyrimidin-2-one (CID 62018428) is 1-[3-(4-fluorophenyl)-2-oxopropyl]-4,6-dimethylpyrimidin-2-one.
What is the SMILES notation for 1-[3-(4-fluorophenyl)-2-oxopropyl]-4,6-dimethylpyrimidin-2-one?
The canonical SMILES for 1-[3-(4-fluorophenyl)-2-oxopropyl]-4,6-dimethylpyrimidin-2-one is Cc1cc(C)n(CC(=O)Cc2ccc(F)cc2)c(=O)n1.
What is the InChIKey of 1-[3-(4-fluorophenyl)-2-oxopropyl]-4,6-dimethylpyrimidin-2-one?
The InChIKey is KNFSFXGMIBPMEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15FN2O2/c1-10-7-11(2)18(15(20)17-10)9-14(19)8-12-3-5-13(16)6-4-12/h3-7H,8-9H2,1-2H3.
What are the key properties of 1-[3-(4-fluorophenyl)-2-oxopropyl]-4,6-dimethylpyrimidin-2-one?
1-[3-(4-fluorophenyl)-2-oxopropyl]-4,6-dimethylpyrimidin-2-one has a molecular weight of 274.30 g/mol, XLogP of 1.81, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(4-fluorophenyl)-2-oxopropyl]-4,6-dimethylpyrimidin-2-one is sourced from PubChem (CID 62018428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).