6-chloro-3-(2-thiophen-2-ylethyl)pyrimidin-4-one

C10H9ClN2OS — CID 114582136

IUPAC6-chloro-3-(2-thiophen-2-ylethyl)pyrimidin-4-one
SMILESO=c1cc(Cl)ncn1CCc1cccs1
InChIInChI=1S/C10H9ClN2OS/c11-9-6-10(14)13(7-12-9)4-3-8-2-1-5-15-8/h1-2,5-7H,3-4H2
InChIKeyYBYFNLQXHAWQSJ-UHFFFAOYSA-N
MW240.72 g/mol
LogP2.20
Rot. Bonds3

About 6-chloro-3-(2-thiophen-2-ylethyl)pyrimidin-4-one

6-chloro-3-(2-thiophen-2-ylethyl)pyrimidin-4-one (PubChem CID 114582136) has the molecular formula C10H9ClN2OS and a molecular weight of 240.72 g/mol. Its IUPAC name is 6-chloro-3-(2-thiophen-2-ylethyl)pyrimidin-4-one.

Molecular Properties

Compound Name6-chloro-3-(2-thiophen-2-ylethyl)pyrimidin-4-one
PubChem CID114582136
Molecular FormulaC10H9ClN2OS
Molecular Weight240.72 g/mol
Exact Mass240.01
IUPAC Name6-chloro-3-(2-thiophen-2-ylethyl)pyrimidin-4-one
SMILESO=c1cc(Cl)ncn1CCc1cccs1
InChIInChI=1S/C10H9ClN2OS/c11-9-6-10(14)13(7-12-9)4-3-8-2-1-5-15-8/h1-2,5-7H,3-4H2
InChIKeyYBYFNLQXHAWQSJ-UHFFFAOYSA-N
XLogP2.20
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.72
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 6-chloro-3-(2-thiophen-2-ylethyl)pyrimidin-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

Related Compounds

5,6-dichloro-3-(2-thiophen-2-ylethyl)pyrimidin-4-one
CID 114583003
6-chloro-2-propan-2-yl-3-(2-thiophen-2-ylethyl)pyrimidin-4-one
CID 114584884
5,6-difluoro-1-(2-thiophen-2-ylethyl)benzimidazole
CID 113357701
2-oxo-1-(2-thiophen-2-ylethyl)pyridine-4-carboxylic acid
CID 82901967
6-chloro-3-[2-(1-methylimidazol-2-yl)ethyl]pyrimidin-4-one
CID 114582023
5-bromo-1-(2-thiophen-2-ylethyl)pyridin-2-one
CID 66308274
5-bromo-4-methoxy-1-(2-thiophen-2-ylethyl)pyridin-2-one
CID 91650638
1-ethyl-3-(2-thiophen-2-ylethyl)imidazol-2-one
CID 116624291
6-chloro-3-(2-propoxyethyl)pyrimidin-4-one
CID 106455819
4-methyl-2-(2-thiophen-2-ylethyl)-1,2,4-triazol-3-one
CID 86797131
5-(2-aminoethoxy)-2-(2-thiophen-2-ylethyl)pyridazin-3-one
CID 103222731
4-(chloromethyl)-1-(2-thiophen-2-ylethyl)imidazole
CID 106720766

Frequently Asked Questions

What is the IUPAC name of 6-chloro-3-(2-thiophen-2-ylethyl)pyrimidin-4-one?
The IUPAC name of 6-chloro-3-(2-thiophen-2-ylethyl)pyrimidin-4-one (CID 114582136) is 6-chloro-3-(2-thiophen-2-ylethyl)pyrimidin-4-one.
What is the SMILES notation for 6-chloro-3-(2-thiophen-2-ylethyl)pyrimidin-4-one?
The canonical SMILES for 6-chloro-3-(2-thiophen-2-ylethyl)pyrimidin-4-one is O=c1cc(Cl)ncn1CCc1cccs1.
What is the InChIKey of 6-chloro-3-(2-thiophen-2-ylethyl)pyrimidin-4-one?
The InChIKey is YBYFNLQXHAWQSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9ClN2OS/c11-9-6-10(14)13(7-12-9)4-3-8-2-1-5-15-8/h1-2,5-7H,3-4H2.
What are the key properties of 6-chloro-3-(2-thiophen-2-ylethyl)pyrimidin-4-one?
6-chloro-3-(2-thiophen-2-ylethyl)pyrimidin-4-one has a molecular weight of 240.72 g/mol, XLogP of 2.20, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-3-(2-thiophen-2-ylethyl)pyrimidin-4-one is sourced from PubChem (CID 114582136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).