7-(4-chlorophenyl)-2-methyl-3H-thieno[3,2-d]pyrimidin-4-one

C13H9ClN2OS — CID 137266938

IUPAC7-(4-chlorophenyl)-2-methyl-3H-thieno[3,2-d]pyrimidin-4-one
SMILESCc1nc2c(-c3ccc(Cl)cc3)csc2c(=O)[nH]1
InChIInChI=1S/C13H9ClN2OS/c1-7-15-11-10(6-18-12(11)13(17)16-7)8-2-4-9(14)5-3-8/h2-6H,1H3,(H,15,16,17)
InChIKeyVTLPXJQCAXHECS-UHFFFAOYSA-N
MW276.75 g/mol
LogP3.61
Rot. Bonds1

About 7-(4-chlorophenyl)-2-methyl-3H-thieno[3,2-d]pyrimidin-4-one

7-(4-chlorophenyl)-2-methyl-3H-thieno[3,2-d]pyrimidin-4-one (PubChem CID 137266938) has the molecular formula C13H9ClN2OS and a molecular weight of 276.75 g/mol. Its IUPAC name is 7-(4-chlorophenyl)-2-methyl-3H-thieno[3,2-d]pyrimidin-4-one.

Molecular Properties

Compound Name7-(4-chlorophenyl)-2-methyl-3H-thieno[3,2-d]pyrimidin-4-one
PubChem CID137266938
Molecular FormulaC13H9ClN2OS
Molecular Weight276.75 g/mol
Exact Mass276.01
IUPAC Name7-(4-chlorophenyl)-2-methyl-3H-thieno[3,2-d]pyrimidin-4-one
SMILESCc1nc2c(-c3ccc(Cl)cc3)csc2c(=O)[nH]1
InChIInChI=1S/C13H9ClN2OS/c1-7-15-11-10(6-18-12(11)13(17)16-7)8-2-4-9(14)5-3-8/h2-6H,1H3,(H,15,16,17)
InChIKeyVTLPXJQCAXHECS-UHFFFAOYSA-N
XLogP3.61
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.75
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 7-(4-chlorophenyl)-2-methyl-3H-thieno[3,2-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

7-(4-methoxyphenyl)-2-(propan-2-ylamino)-3H-thieno[3,2-d]pyrimidin-4-one
CID 136961700
9-(4-chlorophenyl)-13-methyl-17-thia-2,12,14-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3(8),9,11(16),12-pentaen-15-one
CID 135422446
4-(4-chlorophenyl)-2-methyl-6-oxo-1H-pyrimidine-5-carbonitrile
CID 139921187
7-(2-fluorophenyl)-2,6-dimethyl-3H-thieno[3,2-d]pyrimidin-4-one
CID 136835872
7-(4-chlorophenyl)-3-[(2,5-dimethylphenyl)methyl]thieno[3,2-d]pyrimidin-4-one
CID 53035303
7-(3-fluorophenyl)-2-methylsulfanyl-3H-thieno[3,2-d]pyrimidin-4-one
CID 135631951
5-(4-tert-butylphenyl)-2-(4-chlorophenyl)-3H-thieno[2,3-d]pyrimidin-4-one
CID 28868602
2-butylsulfanyl-5-(4-chlorophenyl)-3H-thieno[2,3-d]pyrimidin-4-one
CID 7309625
5-(4-chlorophenyl)-2-[(4-methoxyphenyl)methyl]-3H-thieno[2,3-d]pyrimidin-4-one
CID 28868373
2-[(4-chlorophenyl)methyl]-5-(4-propan-2-ylphenyl)-3H-thieno[2,3-d]pyrimidin-4-one
CID 28890377
7-(3,4-dichlorophenyl)-2-(4-pyridin-2-ylpiperazin-1-yl)-3H-thieno[3,2-d]pyrimidin-4-one
CID 135631015
5-(2-chlorophenyl)-2-methyl-3H-thieno[2,3-d]pyrimidin-4-one
CID 47007159

Frequently Asked Questions

What is the IUPAC name of 7-(4-chlorophenyl)-2-methyl-3H-thieno[3,2-d]pyrimidin-4-one?
The IUPAC name of 7-(4-chlorophenyl)-2-methyl-3H-thieno[3,2-d]pyrimidin-4-one (CID 137266938) is 7-(4-chlorophenyl)-2-methyl-3H-thieno[3,2-d]pyrimidin-4-one.
What is the SMILES notation for 7-(4-chlorophenyl)-2-methyl-3H-thieno[3,2-d]pyrimidin-4-one?
The canonical SMILES for 7-(4-chlorophenyl)-2-methyl-3H-thieno[3,2-d]pyrimidin-4-one is Cc1nc2c(-c3ccc(Cl)cc3)csc2c(=O)[nH]1.
What is the InChIKey of 7-(4-chlorophenyl)-2-methyl-3H-thieno[3,2-d]pyrimidin-4-one?
The InChIKey is VTLPXJQCAXHECS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9ClN2OS/c1-7-15-11-10(6-18-12(11)13(17)16-7)8-2-4-9(14)5-3-8/h2-6H,1H3,(H,15,16,17).
What are the key properties of 7-(4-chlorophenyl)-2-methyl-3H-thieno[3,2-d]pyrimidin-4-one?
7-(4-chlorophenyl)-2-methyl-3H-thieno[3,2-d]pyrimidin-4-one has a molecular weight of 276.75 g/mol, XLogP of 3.61, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(4-chlorophenyl)-2-methyl-3H-thieno[3,2-d]pyrimidin-4-one is sourced from PubChem (CID 137266938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).