4-methyl-2-(2-thiophen-3-ylethyl)-1H-pyrimidin-6-one

C11H12N2OS — CID 136635300

IUPAC4-methyl-2-(2-thiophen-3-ylethyl)-1H-pyrimidin-6-one
SMILESCc1cc(=O)[nH]c(CCc2ccsc2)n1
InChIInChI=1S/C11H12N2OS/c1-8-6-11(14)13-10(12-8)3-2-9-4-5-15-7-9/h4-7H,2-3H2,1H3,(H,12,13,14)
InChIKeyWLKCURMIMZAPDK-UHFFFAOYSA-N
MW220.30 g/mol
LogP1.93
Rot. Bonds3

About 4-methyl-2-(2-thiophen-3-ylethyl)-1H-pyrimidin-6-one

4-methyl-2-(2-thiophen-3-ylethyl)-1H-pyrimidin-6-one (PubChem CID 136635300) has the molecular formula C11H12N2OS and a molecular weight of 220.30 g/mol. Its IUPAC name is 4-methyl-2-(2-thiophen-3-ylethyl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-methyl-2-(2-thiophen-3-ylethyl)-1H-pyrimidin-6-one
PubChem CID136635300
Molecular FormulaC11H12N2OS
Molecular Weight220.30 g/mol
Exact Mass220.07
IUPAC Name4-methyl-2-(2-thiophen-3-ylethyl)-1H-pyrimidin-6-one
SMILESCc1cc(=O)[nH]c(CCc2ccsc2)n1
InChIInChI=1S/C11H12N2OS/c1-8-6-11(14)13-10(12-8)3-2-9-4-5-15-7-9/h4-7H,2-3H2,1H3,(H,12,13,14)
InChIKeyWLKCURMIMZAPDK-UHFFFAOYSA-N
XLogP1.93
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.30
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-methyl-2-(2-thiophen-3-ylethyl)-1H-pyrimidin-6-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 4-methyl-2-(2-thiophen-3-ylethyl)-1H-pyrimidin-6-one?
The IUPAC name of 4-methyl-2-(2-thiophen-3-ylethyl)-1H-pyrimidin-6-one (CID 136635300) is 4-methyl-2-(2-thiophen-3-ylethyl)-1H-pyrimidin-6-one.
What is the SMILES notation for 4-methyl-2-(2-thiophen-3-ylethyl)-1H-pyrimidin-6-one?
The canonical SMILES for 4-methyl-2-(2-thiophen-3-ylethyl)-1H-pyrimidin-6-one is Cc1cc(=O)[nH]c(CCc2ccsc2)n1.
What is the InChIKey of 4-methyl-2-(2-thiophen-3-ylethyl)-1H-pyrimidin-6-one?
The InChIKey is WLKCURMIMZAPDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2OS/c1-8-6-11(14)13-10(12-8)3-2-9-4-5-15-7-9/h4-7H,2-3H2,1H3,(H,12,13,14).
What are the key properties of 4-methyl-2-(2-thiophen-3-ylethyl)-1H-pyrimidin-6-one?
4-methyl-2-(2-thiophen-3-ylethyl)-1H-pyrimidin-6-one has a molecular weight of 220.30 g/mol, XLogP of 1.93, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-(2-thiophen-3-ylethyl)-1H-pyrimidin-6-one is sourced from PubChem (CID 136635300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).