5-(4-chlorophenyl)-2-(pyridin-2-ylmethyl)-3H-thieno[2,3-d]pyrimidin-4-one

C18H12ClN3OS — CID 2484025

IUPAC5-(4-chlorophenyl)-2-(pyridin-2-ylmethyl)-3H-thieno[2,3-d]pyrimidin-4-one
SMILESO=c1[nH]c(Cc2ccccn2)nc2scc(-c3ccc(Cl)cc3)c12
InChIInChI=1S/C18H12ClN3OS/c19-12-6-4-11(5-7-12)14-10-24-18-16(14)17(23)21-15(22-18)9-13-3-1-2-8-20-13/h1-8,10H,9H2,(H,21,22,23)
InChIKeySJVNXFDRXFKFRU-UHFFFAOYSA-N
MW353.83 g/mol
LogP4.29
Rot. Bonds3

About 5-(4-chlorophenyl)-2-(pyridin-2-ylmethyl)-3H-thieno[2,3-d]pyrimidin-4-one

5-(4-chlorophenyl)-2-(pyridin-2-ylmethyl)-3H-thieno[2,3-d]pyrimidin-4-one (PubChem CID 2484025) has the molecular formula C18H12ClN3OS and a molecular weight of 353.83 g/mol. Its IUPAC name is 5-(4-chlorophenyl)-2-(pyridin-2-ylmethyl)-3H-thieno[2,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name5-(4-chlorophenyl)-2-(pyridin-2-ylmethyl)-3H-thieno[2,3-d]pyrimidin-4-one
PubChem CID2484025
Molecular FormulaC18H12ClN3OS
Molecular Weight353.83 g/mol
Exact Mass353.04
IUPAC Name5-(4-chlorophenyl)-2-(pyridin-2-ylmethyl)-3H-thieno[2,3-d]pyrimidin-4-one
SMILESO=c1[nH]c(Cc2ccccn2)nc2scc(-c3ccc(Cl)cc3)c12
InChIInChI=1S/C18H12ClN3OS/c19-12-6-4-11(5-7-12)14-10-24-18-16(14)17(23)21-15(22-18)9-13-3-1-2-8-20-13/h1-8,10H,9H2,(H,21,22,23)
InChIKeySJVNXFDRXFKFRU-UHFFFAOYSA-N
XLogP4.29
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.83
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-(4-chlorophenyl)-2-(pyridin-2-ylmethyl)-3H-thieno[2,3-d]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

3-Pyridinecarboxamide, N-(4-(4-chlorophenyl)-2-thiazolyl)-
CID 684716
N-(4-chlorophenyl)-4-[2-(pyridin-4-yl)ethyl]-1,3-thiazole-5-carboxamide
CID 23644830
6-methyl-5-phenyl-2-(pyridin-3-yl)-3H,4H-thieno[2,3-d]pyrimidin-4-one
CID 852962
6-phenyl-2-pyridin-3-yl-3H-thieno[2,3-d]pyrimidin-4-one
CID 2106365
N-[3-(aminocarbonyl)-4,5,6,7-tetrahydro-1-benzothien-2-yl]-2-chloronicotinamide
CID 903825
6-Methyl-5-phenyl-2-(pyridin-2-yl)thieno[2,3-d]pyrimidin-4(3H)-one
CID 852961
6-phenyl-2-pyridin-2-yl-3H-thieno[2,3-d]pyrimidin-4-one
CID 2099944
(2-Amino-4-((4-(pyridin-2-yl)piperazin-1-yl)methyl)thiophen-3-yl)(4-chlorophenyl)methanone
CID 25068717
3-chloro-N-(2-(2-(pyridin-3-yl)thiazol-4-yl)ethyl)benzamide
CID 7119147
5-(4-methylphenyl)-2-pyridin-4-yl-3H-thieno[2,3-d]pyrimidin-4-one
CID 2556330
N-[3-[(4-chlorophenyl)-oxomethyl]-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-3-pyridinecarboxamide
CID 3134270
4-chloro-N-{2-[2-(pyridin-3-yl)-1,3-thiazol-4-yl]ethyl}benzamide
CID 7119146

Frequently Asked Questions

What is the IUPAC name of 5-(4-chlorophenyl)-2-(pyridin-2-ylmethyl)-3H-thieno[2,3-d]pyrimidin-4-one?
The IUPAC name of 5-(4-chlorophenyl)-2-(pyridin-2-ylmethyl)-3H-thieno[2,3-d]pyrimidin-4-one (CID 2484025) is 5-(4-chlorophenyl)-2-(pyridin-2-ylmethyl)-3H-thieno[2,3-d]pyrimidin-4-one.
What is the SMILES notation for 5-(4-chlorophenyl)-2-(pyridin-2-ylmethyl)-3H-thieno[2,3-d]pyrimidin-4-one?
The canonical SMILES for 5-(4-chlorophenyl)-2-(pyridin-2-ylmethyl)-3H-thieno[2,3-d]pyrimidin-4-one is O=c1[nH]c(Cc2ccccn2)nc2scc(-c3ccc(Cl)cc3)c12.
What is the InChIKey of 5-(4-chlorophenyl)-2-(pyridin-2-ylmethyl)-3H-thieno[2,3-d]pyrimidin-4-one?
The InChIKey is SJVNXFDRXFKFRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12ClN3OS/c19-12-6-4-11(5-7-12)14-10-24-18-16(14)17(23)21-15(22-18)9-13-3-1-2-8-20-13/h1-8,10H,9H2,(H,21,22,23).
What are the key properties of 5-(4-chlorophenyl)-2-(pyridin-2-ylmethyl)-3H-thieno[2,3-d]pyrimidin-4-one?
5-(4-chlorophenyl)-2-(pyridin-2-ylmethyl)-3H-thieno[2,3-d]pyrimidin-4-one has a molecular weight of 353.83 g/mol, XLogP of 4.29, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-chlorophenyl)-2-(pyridin-2-ylmethyl)-3H-thieno[2,3-d]pyrimidin-4-one is sourced from PubChem (CID 2484025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).