3-[2-(5-ethylthiophen-2-yl)-2-oxoethyl]-2,6-dimethylpyrimidin-4-one

C14H16N2O2S — CID 55234915

IUPAC3-[2-(5-ethylthiophen-2-yl)-2-oxoethyl]-2,6-dimethylpyrimidin-4-one
SMILESCCc1ccc(C(=O)Cn2c(C)nc(C)cc2=O)s1
InChIInChI=1S/C14H16N2O2S/c1-4-11-5-6-13(19-11)12(17)8-16-10(3)15-9(2)7-14(16)18/h5-7H,4,8H2,1-3H3
InChIKeyWNOFOFGNEYXYPV-UHFFFAOYSA-N
MW276.36 g/mol
LogP2.37
Rot. Bonds4

About 3-[2-(5-ethylthiophen-2-yl)-2-oxoethyl]-2,6-dimethylpyrimidin-4-one

3-[2-(5-ethylthiophen-2-yl)-2-oxoethyl]-2,6-dimethylpyrimidin-4-one (PubChem CID 55234915) has the molecular formula C14H16N2O2S and a molecular weight of 276.36 g/mol. Its IUPAC name is 3-[2-(5-ethylthiophen-2-yl)-2-oxoethyl]-2,6-dimethylpyrimidin-4-one.

Molecular Properties

Compound Name3-[2-(5-ethylthiophen-2-yl)-2-oxoethyl]-2,6-dimethylpyrimidin-4-one
PubChem CID55234915
Molecular FormulaC14H16N2O2S
Molecular Weight276.36 g/mol
Exact Mass276.09
IUPAC Name3-[2-(5-ethylthiophen-2-yl)-2-oxoethyl]-2,6-dimethylpyrimidin-4-one
SMILESCCc1ccc(C(=O)Cn2c(C)nc(C)cc2=O)s1
InChIInChI=1S/C14H16N2O2S/c1-4-11-5-6-13(19-11)12(17)8-16-10(3)15-9(2)7-14(16)18/h5-7H,4,8H2,1-3H3
InChIKeyWNOFOFGNEYXYPV-UHFFFAOYSA-N
XLogP2.37
TPSA51.96 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.36
LogP ≤ 52.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 3-[2-(5-ethylthiophen-2-yl)-2-oxoethyl]-2,6-dimethylpyrimidin-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-[2-(5-ethylthiophen-2-yl)-2-oxoethyl]-2,6-dimethylpyrimidin-4-one?
The IUPAC name of 3-[2-(5-ethylthiophen-2-yl)-2-oxoethyl]-2,6-dimethylpyrimidin-4-one (CID 55234915) is 3-[2-(5-ethylthiophen-2-yl)-2-oxoethyl]-2,6-dimethylpyrimidin-4-one.
What is the SMILES notation for 3-[2-(5-ethylthiophen-2-yl)-2-oxoethyl]-2,6-dimethylpyrimidin-4-one?
The canonical SMILES for 3-[2-(5-ethylthiophen-2-yl)-2-oxoethyl]-2,6-dimethylpyrimidin-4-one is CCc1ccc(C(=O)Cn2c(C)nc(C)cc2=O)s1.
What is the InChIKey of 3-[2-(5-ethylthiophen-2-yl)-2-oxoethyl]-2,6-dimethylpyrimidin-4-one?
The InChIKey is WNOFOFGNEYXYPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O2S/c1-4-11-5-6-13(19-11)12(17)8-16-10(3)15-9(2)7-14(16)18/h5-7H,4,8H2,1-3H3.
What are the key properties of 3-[2-(5-ethylthiophen-2-yl)-2-oxoethyl]-2,6-dimethylpyrimidin-4-one?
3-[2-(5-ethylthiophen-2-yl)-2-oxoethyl]-2,6-dimethylpyrimidin-4-one has a molecular weight of 276.36 g/mol, XLogP of 2.37, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(5-ethylthiophen-2-yl)-2-oxoethyl]-2,6-dimethylpyrimidin-4-one is sourced from PubChem (CID 55234915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).