5-(2,4-dichlorophenyl)-2,6-dimethyl-3H-thieno[2,3-d]pyrimidin-4-one

C14H10Cl2N2OS — CID 47290736

IUPAC5-(2,4-dichlorophenyl)-2,6-dimethyl-3H-thieno[2,3-d]pyrimidin-4-one
SMILESCc1nc2sc(C)c(-c3ccc(Cl)cc3Cl)c2c(=O)[nH]1
InChIInChI=1S/C14H10Cl2N2OS/c1-6-11(9-4-3-8(15)5-10(9)16)12-13(19)17-7(2)18-14(12)20-6/h3-5H,1-2H3,(H,17,18,19)
InChIKeyLKKPTDNRHJSCFC-UHFFFAOYSA-N
MW325.22 g/mol
LogP4.58
Rot. Bonds1

About 5-(2,4-dichlorophenyl)-2,6-dimethyl-3H-thieno[2,3-d]pyrimidin-4-one

5-(2,4-dichlorophenyl)-2,6-dimethyl-3H-thieno[2,3-d]pyrimidin-4-one (PubChem CID 47290736) has the molecular formula C14H10Cl2N2OS and a molecular weight of 325.22 g/mol. Its IUPAC name is 5-(2,4-dichlorophenyl)-2,6-dimethyl-3H-thieno[2,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name5-(2,4-dichlorophenyl)-2,6-dimethyl-3H-thieno[2,3-d]pyrimidin-4-one
PubChem CID47290736
Molecular FormulaC14H10Cl2N2OS
Molecular Weight325.22 g/mol
Exact Mass323.99
IUPAC Name5-(2,4-dichlorophenyl)-2,6-dimethyl-3H-thieno[2,3-d]pyrimidin-4-one
SMILESCc1nc2sc(C)c(-c3ccc(Cl)cc3Cl)c2c(=O)[nH]1
InChIInChI=1S/C14H10Cl2N2OS/c1-6-11(9-4-3-8(15)5-10(9)16)12-13(19)17-7(2)18-14(12)20-6/h3-5H,1-2H3,(H,17,18,19)
InChIKeyLKKPTDNRHJSCFC-UHFFFAOYSA-N
XLogP4.58
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.22
LogP ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 5-(2,4-dichlorophenyl)-2,6-dimethyl-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

Frequently Asked Questions

What is the IUPAC name of 5-(2,4-dichlorophenyl)-2,6-dimethyl-3H-thieno[2,3-d]pyrimidin-4-one?
The IUPAC name of 5-(2,4-dichlorophenyl)-2,6-dimethyl-3H-thieno[2,3-d]pyrimidin-4-one (CID 47290736) is 5-(2,4-dichlorophenyl)-2,6-dimethyl-3H-thieno[2,3-d]pyrimidin-4-one.
What is the SMILES notation for 5-(2,4-dichlorophenyl)-2,6-dimethyl-3H-thieno[2,3-d]pyrimidin-4-one?
The canonical SMILES for 5-(2,4-dichlorophenyl)-2,6-dimethyl-3H-thieno[2,3-d]pyrimidin-4-one is Cc1nc2sc(C)c(-c3ccc(Cl)cc3Cl)c2c(=O)[nH]1.
What is the InChIKey of 5-(2,4-dichlorophenyl)-2,6-dimethyl-3H-thieno[2,3-d]pyrimidin-4-one?
The InChIKey is LKKPTDNRHJSCFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10Cl2N2OS/c1-6-11(9-4-3-8(15)5-10(9)16)12-13(19)17-7(2)18-14(12)20-6/h3-5H,1-2H3,(H,17,18,19).
What are the key properties of 5-(2,4-dichlorophenyl)-2,6-dimethyl-3H-thieno[2,3-d]pyrimidin-4-one?
5-(2,4-dichlorophenyl)-2,6-dimethyl-3H-thieno[2,3-d]pyrimidin-4-one has a molecular weight of 325.22 g/mol, XLogP of 4.58, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,4-dichlorophenyl)-2,6-dimethyl-3H-thieno[2,3-d]pyrimidin-4-one is sourced from PubChem (CID 47290736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).