5-(4-chlorophenyl)-3-methylthieno[2,3-d]pyrimidin-4-one

C13H9ClN2OS — CID 732028

IUPAC5-(4-chlorophenyl)-3-methylthieno[2,3-d]pyrimidin-4-one
SMILESCn1cnc2scc(-c3ccc(Cl)cc3)c2c1=O
InChIInChI=1S/C13H9ClN2OS/c1-16-7-15-12-11(13(16)17)10(6-18-12)8-2-4-9(14)5-3-8/h2-7H,1H3
InChIKeyCEYISTFSTWLLSQ-UHFFFAOYSA-N
MW276.75 g/mol
LogP3.32
Rot. Bonds1

About 5-(4-chlorophenyl)-3-methylthieno[2,3-d]pyrimidin-4-one

5-(4-chlorophenyl)-3-methylthieno[2,3-d]pyrimidin-4-one (PubChem CID 732028) has the molecular formula C13H9ClN2OS and a molecular weight of 276.75 g/mol. Its IUPAC name is 5-(4-chlorophenyl)-3-methylthieno[2,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name5-(4-chlorophenyl)-3-methylthieno[2,3-d]pyrimidin-4-one
PubChem CID732028
Molecular FormulaC13H9ClN2OS
Molecular Weight276.75 g/mol
Exact Mass276.01
IUPAC Name5-(4-chlorophenyl)-3-methylthieno[2,3-d]pyrimidin-4-one
SMILESCn1cnc2scc(-c3ccc(Cl)cc3)c2c1=O
InChIInChI=1S/C13H9ClN2OS/c1-16-7-15-12-11(13(16)17)10(6-18-12)8-2-4-9(14)5-3-8/h2-7H,1H3
InChIKeyCEYISTFSTWLLSQ-UHFFFAOYSA-N
XLogP3.32
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.75
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 5-(4-chlorophenyl)-3-methylthieno[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-[(4-chlorophenyl)methyl]-5-(4-ethylphenyl)thieno[2,3-d]pyrimidin-4-one
CID 7673676
5-(4-chlorophenyl)-3-(2-propan-2-yloxyethyl)thieno[2,3-d]pyrimidin-4-one
CID 24674180
(2S)-2-[5-(4-chlorophenyl)-4-oxothieno[2,3-d]pyrimidin-3-yl]butanoate
CID 6922238
5-(4-chlorophenyl)-3-[(1-methylindol-3-yl)methylideneamino]thieno[2,3-d]pyrimidin-4-one
CID 3242344
5-(4-chlorophenyl)-3-[(3-methyl-1,2-oxazol-5-yl)methyl]thieno[2,3-d]pyrimidin-4-one
CID 18099654
2-[[2-[5-(4-chlorophenyl)-4-oxothieno[2,3-d]pyrimidin-3-yl]acetyl]amino]-N-methylacetamide
CID 8573262
5-(4-chlorophenyl)-3-[(4-nitrophenyl)methyl]thieno[2,3-d]pyrimidin-4-one
CID 1191816
5-(4-methylphenyl)-3-propylthieno[2,3-d]pyrimidin-4-one
CID 709146
2-[5-(4-chlorophenyl)-4-oxothieno[2,3-d]pyrimidin-3-yl]-N-(3,5-dichlorophenyl)propanamide
CID 44639316
2-[5-(4-chlorophenyl)-4-oxothieno[2,3-d]pyrimidin-3-yl]-N-(2-methylbutan-2-yl)acetamide
CID 8573283
12-(4-chlorophenyl)-14-thia-1,9,16-triazatetracyclo[8.7.0.03,8.011,15]heptadeca-3,5,7,9,11(15),12,16-heptaen-2-one
CID 46227287
2-ethoxyethyl 2-[5-(4-chlorophenyl)-4-oxothieno[2,3-d]pyrimidin-3-yl]propanoate
CID 4998804

Frequently Asked Questions

What is the IUPAC name of 5-(4-chlorophenyl)-3-methylthieno[2,3-d]pyrimidin-4-one?
The IUPAC name of 5-(4-chlorophenyl)-3-methylthieno[2,3-d]pyrimidin-4-one (CID 732028) is 5-(4-chlorophenyl)-3-methylthieno[2,3-d]pyrimidin-4-one.
What is the SMILES notation for 5-(4-chlorophenyl)-3-methylthieno[2,3-d]pyrimidin-4-one?
The canonical SMILES for 5-(4-chlorophenyl)-3-methylthieno[2,3-d]pyrimidin-4-one is Cn1cnc2scc(-c3ccc(Cl)cc3)c2c1=O.
What is the InChIKey of 5-(4-chlorophenyl)-3-methylthieno[2,3-d]pyrimidin-4-one?
The InChIKey is CEYISTFSTWLLSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9ClN2OS/c1-16-7-15-12-11(13(16)17)10(6-18-12)8-2-4-9(14)5-3-8/h2-7H,1H3.
What are the key properties of 5-(4-chlorophenyl)-3-methylthieno[2,3-d]pyrimidin-4-one?
5-(4-chlorophenyl)-3-methylthieno[2,3-d]pyrimidin-4-one has a molecular weight of 276.75 g/mol, XLogP of 3.32, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-chlorophenyl)-3-methylthieno[2,3-d]pyrimidin-4-one is sourced from PubChem (CID 732028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).