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

C14H13FN2O2 — CID 63768337

IUPAC3-[2-(2-fluorophenyl)-2-oxoethyl]-2,6-dimethylpyrimidin-4-one
SMILESCc1cc(=O)n(CC(=O)c2ccccc2F)c(C)n1
InChIInChI=1S/C14H13FN2O2/c1-9-7-14(19)17(10(2)16-9)8-13(18)11-5-3-4-6-12(11)15/h3-7H,8H2,1-2H3
InChIKeyDPQIDUYQXARNFF-UHFFFAOYSA-N
MW260.27 g/mol
LogP1.88
Rot. Bonds3

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

3-[2-(2-fluorophenyl)-2-oxoethyl]-2,6-dimethylpyrimidin-4-one (PubChem CID 63768337) has the molecular formula C14H13FN2O2 and a molecular weight of 260.27 g/mol. Its IUPAC name is 3-[2-(2-fluorophenyl)-2-oxoethyl]-2,6-dimethylpyrimidin-4-one.

Molecular Properties

Compound Name3-[2-(2-fluorophenyl)-2-oxoethyl]-2,6-dimethylpyrimidin-4-one
PubChem CID63768337
Molecular FormulaC14H13FN2O2
Molecular Weight260.27 g/mol
Exact Mass260.10
IUPAC Name3-[2-(2-fluorophenyl)-2-oxoethyl]-2,6-dimethylpyrimidin-4-one
SMILESCc1cc(=O)n(CC(=O)c2ccccc2F)c(C)n1
InChIInChI=1S/C14H13FN2O2/c1-9-7-14(19)17(10(2)16-9)8-13(18)11-5-3-4-6-12(11)15/h3-7H,8H2,1-2H3
InChIKeyDPQIDUYQXARNFF-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 3-[2-(2-fluorophenyl)-2-oxoethyl]-2,6-dimethylpyrimidin-4-one?
The IUPAC name of 3-[2-(2-fluorophenyl)-2-oxoethyl]-2,6-dimethylpyrimidin-4-one (CID 63768337) is 3-[2-(2-fluorophenyl)-2-oxoethyl]-2,6-dimethylpyrimidin-4-one.
What is the SMILES notation for 3-[2-(2-fluorophenyl)-2-oxoethyl]-2,6-dimethylpyrimidin-4-one?
The canonical SMILES for 3-[2-(2-fluorophenyl)-2-oxoethyl]-2,6-dimethylpyrimidin-4-one is Cc1cc(=O)n(CC(=O)c2ccccc2F)c(C)n1.
What is the InChIKey of 3-[2-(2-fluorophenyl)-2-oxoethyl]-2,6-dimethylpyrimidin-4-one?
The InChIKey is DPQIDUYQXARNFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13FN2O2/c1-9-7-14(19)17(10(2)16-9)8-13(18)11-5-3-4-6-12(11)15/h3-7H,8H2,1-2H3.
What are the key properties of 3-[2-(2-fluorophenyl)-2-oxoethyl]-2,6-dimethylpyrimidin-4-one?
3-[2-(2-fluorophenyl)-2-oxoethyl]-2,6-dimethylpyrimidin-4-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 3-[2-(2-fluorophenyl)-2-oxoethyl]-2,6-dimethylpyrimidin-4-one is sourced from PubChem (CID 63768337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).