4-chloro-7-(3-chlorophenyl)-6-methylthieno[3,2-d]pyrimidine

C13H8Cl2N2S — CID 83971521

IUPAC4-chloro-7-(3-chlorophenyl)-6-methylthieno[3,2-d]pyrimidine
SMILESCc1sc2c(Cl)ncnc2c1-c1cccc(Cl)c1
InChIInChI=1S/C13H8Cl2N2S/c1-7-10(8-3-2-4-9(14)5-8)11-12(18-7)13(15)17-6-16-11/h2-6H,1H3
InChIKeyATEQXKXIGUDARB-UHFFFAOYSA-N
MW295.19 g/mol
LogP4.97
Rot. Bonds1

About 4-chloro-7-(3-chlorophenyl)-6-methylthieno[3,2-d]pyrimidine

4-chloro-7-(3-chlorophenyl)-6-methylthieno[3,2-d]pyrimidine (PubChem CID 83971521) has the molecular formula C13H8Cl2N2S and a molecular weight of 295.19 g/mol. Its IUPAC name is 4-chloro-7-(3-chlorophenyl)-6-methylthieno[3,2-d]pyrimidine.

Molecular Properties

Compound Name4-chloro-7-(3-chlorophenyl)-6-methylthieno[3,2-d]pyrimidine
PubChem CID83971521
Molecular FormulaC13H8Cl2N2S
Molecular Weight295.19 g/mol
Exact Mass293.98
IUPAC Name4-chloro-7-(3-chlorophenyl)-6-methylthieno[3,2-d]pyrimidine
SMILESCc1sc2c(Cl)ncnc2c1-c1cccc(Cl)c1
InChIInChI=1S/C13H8Cl2N2S/c1-7-10(8-3-2-4-9(14)5-8)11-12(18-7)13(15)17-6-16-11/h2-6H,1H3
InChIKeyATEQXKXIGUDARB-UHFFFAOYSA-N
XLogP4.97
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.19
LogP ≤ 54.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 4-chloro-7-(3-chlorophenyl)-6-methylthieno[3,2-d]pyrimidine 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

4-chloro-6-methyl-7-pyridin-2-ylthieno[3,2-d]pyrimidine
CID 83971509
5-(3-chlorophenyl)-6-methyl-3H-thieno[2,3-d]pyrimidin-4-one
CID 121360083
4-chloro-6-phenylthieno[3,2-d]pyrimidine
CID 2757862
4,6-dichloro-5-(3-chlorophenyl)-N,N-dimethylpyrimidin-2-amine
CID 79441038
4-chloro-6-(3,5-dichlorophenyl)thieno[3,2-d]pyrimidine
CID 43332783
4-(3-chlorophenyl)-5-methylpyrimidine
CID 130121120
4-(3-chlorophenyl)-5-methyl-N-pyridin-2-yl-1,3-thiazol-2-amine
CID 31264902
4,6-dichloro-5-(3-chlorophenyl)-2-propylpyrimidine
CID 79441111
2-[3-(3-chlorophenyl)-5-methyl-1H-pyrazol-4-yl]pyridine
CID 57056355
5-chloro-2-(3-chlorophenyl)-7-methyl-[1,3]oxazolo[5,4-d]pyrimidine
CID 139231572
2-(3-chlorophenyl)-1-methylimidazole
CID 57277272
7-chloro-4-phenyl-[1]benzothiolo[3,2-d]pyrimidine
CID 156632699

Frequently Asked Questions

What is the IUPAC name of 4-chloro-7-(3-chlorophenyl)-6-methylthieno[3,2-d]pyrimidine?
The IUPAC name of 4-chloro-7-(3-chlorophenyl)-6-methylthieno[3,2-d]pyrimidine (CID 83971521) is 4-chloro-7-(3-chlorophenyl)-6-methylthieno[3,2-d]pyrimidine.
What is the SMILES notation for 4-chloro-7-(3-chlorophenyl)-6-methylthieno[3,2-d]pyrimidine?
The canonical SMILES for 4-chloro-7-(3-chlorophenyl)-6-methylthieno[3,2-d]pyrimidine is Cc1sc2c(Cl)ncnc2c1-c1cccc(Cl)c1.
What is the InChIKey of 4-chloro-7-(3-chlorophenyl)-6-methylthieno[3,2-d]pyrimidine?
The InChIKey is ATEQXKXIGUDARB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8Cl2N2S/c1-7-10(8-3-2-4-9(14)5-8)11-12(18-7)13(15)17-6-16-11/h2-6H,1H3.
What are the key properties of 4-chloro-7-(3-chlorophenyl)-6-methylthieno[3,2-d]pyrimidine?
4-chloro-7-(3-chlorophenyl)-6-methylthieno[3,2-d]pyrimidine has a molecular weight of 295.19 g/mol, XLogP of 4.97, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-7-(3-chlorophenyl)-6-methylthieno[3,2-d]pyrimidine is sourced from PubChem (CID 83971521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).