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

C14H13FN2O2 — CID 62017503

IUPAC1-[2-(3-fluorophenyl)-2-oxoethyl]-4,6-dimethylpyrimidin-2-one
SMILESCc1cc(C)n(CC(=O)c2cccc(F)c2)c(=O)n1
InChIInChI=1S/C14H13FN2O2/c1-9-6-10(2)17(14(19)16-9)8-13(18)11-4-3-5-12(15)7-11/h3-7H,8H2,1-2H3
InChIKeyOIQNFMDFECTJQF-UHFFFAOYSA-N
MW260.27 g/mol
LogP1.88
Rot. Bonds3

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

1-[2-(3-fluorophenyl)-2-oxoethyl]-4,6-dimethylpyrimidin-2-one (PubChem CID 62017503) has the molecular formula C14H13FN2O2 and a molecular weight of 260.27 g/mol. Its IUPAC name is 1-[2-(3-fluorophenyl)-2-oxoethyl]-4,6-dimethylpyrimidin-2-one.

Molecular Properties

Compound Name1-[2-(3-fluorophenyl)-2-oxoethyl]-4,6-dimethylpyrimidin-2-one
PubChem CID62017503
Molecular FormulaC14H13FN2O2
Molecular Weight260.27 g/mol
Exact Mass260.10
IUPAC Name1-[2-(3-fluorophenyl)-2-oxoethyl]-4,6-dimethylpyrimidin-2-one
SMILESCc1cc(C)n(CC(=O)c2cccc(F)c2)c(=O)n1
InChIInChI=1S/C14H13FN2O2/c1-9-6-10(2)17(14(19)16-9)8-13(18)11-4-3-5-12(15)7-11/h3-7H,8H2,1-2H3
InChIKeyOIQNFMDFECTJQF-UHFFFAOYSA-N
XLogP1.88
TPSA51.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.27
LogP ≤ 51.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(3-fluorophenyl)-2-oxoethyl]-4,6-dimethylpyrimidin-2-one?
The IUPAC name of 1-[2-(3-fluorophenyl)-2-oxoethyl]-4,6-dimethylpyrimidin-2-one (CID 62017503) is 1-[2-(3-fluorophenyl)-2-oxoethyl]-4,6-dimethylpyrimidin-2-one.
What is the SMILES notation for 1-[2-(3-fluorophenyl)-2-oxoethyl]-4,6-dimethylpyrimidin-2-one?
The canonical SMILES for 1-[2-(3-fluorophenyl)-2-oxoethyl]-4,6-dimethylpyrimidin-2-one is Cc1cc(C)n(CC(=O)c2cccc(F)c2)c(=O)n1.
What is the InChIKey of 1-[2-(3-fluorophenyl)-2-oxoethyl]-4,6-dimethylpyrimidin-2-one?
The InChIKey is OIQNFMDFECTJQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13FN2O2/c1-9-6-10(2)17(14(19)16-9)8-13(18)11-4-3-5-12(15)7-11/h3-7H,8H2,1-2H3.
What are the key properties of 1-[2-(3-fluorophenyl)-2-oxoethyl]-4,6-dimethylpyrimidin-2-one?
1-[2-(3-fluorophenyl)-2-oxoethyl]-4,6-dimethylpyrimidin-2-one has a molecular weight of 260.27 g/mol, XLogP of 1.88, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3-fluorophenyl)-2-oxoethyl]-4,6-dimethylpyrimidin-2-one is sourced from PubChem (CID 62017503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).