3-(4-chlorophenyl)-1-ethylthieno[3,2-d]pyrimidine-2,4-dione

C14H11ClN2O2S — CID 53331620

IUPAC3-(4-chlorophenyl)-1-ethylthieno[3,2-d]pyrimidine-2,4-dione
SMILESCCn1c(=O)n(-c2ccc(Cl)cc2)c(=O)c2sccc21
InChIInChI=1S/C14H11ClN2O2S/c1-2-16-11-7-8-20-12(11)13(18)17(14(16)19)10-5-3-9(15)4-6-10/h3-8H,2H2,1H3
InChIKeyAVJRTHHVSVIJKI-UHFFFAOYSA-N
MW306.77 g/mol
LogP2.89
Rot. Bonds2

About 3-(4-chlorophenyl)-1-ethylthieno[3,2-d]pyrimidine-2,4-dione

3-(4-chlorophenyl)-1-ethylthieno[3,2-d]pyrimidine-2,4-dione (PubChem CID 53331620) has the molecular formula C14H11ClN2O2S and a molecular weight of 306.77 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-1-ethylthieno[3,2-d]pyrimidine-2,4-dione.

Molecular Properties

Compound Name3-(4-chlorophenyl)-1-ethylthieno[3,2-d]pyrimidine-2,4-dione
PubChem CID53331620
Molecular FormulaC14H11ClN2O2S
Molecular Weight306.77 g/mol
Exact Mass306.02
IUPAC Name3-(4-chlorophenyl)-1-ethylthieno[3,2-d]pyrimidine-2,4-dione
SMILESCCn1c(=O)n(-c2ccc(Cl)cc2)c(=O)c2sccc21
InChIInChI=1S/C14H11ClN2O2S/c1-2-16-11-7-8-20-12(11)13(18)17(14(16)19)10-5-3-9(15)4-6-10/h3-8H,2H2,1H3
InChIKeyAVJRTHHVSVIJKI-UHFFFAOYSA-N
XLogP2.89
TPSA44.00 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.77
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 3-(4-chlorophenyl)-1-ethylthieno[3,2-d]pyrimidine-2,4-dione 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

1-benzyl-3-(4-chlorophenyl)thieno[3,2-d]pyrimidine-2,4-dione
CID 53331622
1-[(4-chlorophenyl)methyl]-3-(3-fluorophenyl)thieno[3,2-d]pyrimidine-2,4-dione
CID 53331619
3-(4-fluorophenyl)-1-[(4-methylphenyl)methyl]thieno[3,2-d]pyrimidine-2,4-dione
CID 22428041
N-(4-chloro-2-fluorophenyl)-2-(2,4-dioxo-3-phenylthieno[3,2-d]pyrimidin-1-yl)acetamide
CID 46923932
3-(4-methylphenyl)-1-[(4-nitrophenyl)methyl]thieno[3,2-d]pyrimidine-2,4-dione
CID 46246393
3-ethyl-1-[(4-methylphenyl)methyl]thieno[3,2-d]pyrimidine-2,4-dione
CID 6486274
3-(4-chlorophenyl)-1-[[3-(4-propan-2-yloxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]thieno[3,2-d]pyrimidine-2,4-dione
CID 53131141
3-(4-fluorophenyl)-1-[(2,4,6-trimethylphenyl)methyl]thieno[3,2-d]pyrimidine-2,4-dione
CID 22428059
1-[(2-chloro-4-fluorophenyl)methyl]-3-(4-ethoxyphenyl)thieno[3,2-d]pyrimidine-2,4-dione
CID 22427957
2-(2,4-dioxo-3-phenylthieno[3,2-d]pyrimidin-1-yl)-N-ethyl-N-phenylacetamide
CID 46923905
N-(5-chloro-2-methoxyphenyl)-2-[3-(3,5-difluorophenyl)-2,4-dioxothieno[3,2-d]pyrimidin-1-yl]acetamide
CID 46924072
1-benzyl-3-(3-methylphenyl)thieno[3,2-d]pyrimidine-2,4-dione
CID 53331547

Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)-1-ethylthieno[3,2-d]pyrimidine-2,4-dione?
The IUPAC name of 3-(4-chlorophenyl)-1-ethylthieno[3,2-d]pyrimidine-2,4-dione (CID 53331620) is 3-(4-chlorophenyl)-1-ethylthieno[3,2-d]pyrimidine-2,4-dione.
What is the SMILES notation for 3-(4-chlorophenyl)-1-ethylthieno[3,2-d]pyrimidine-2,4-dione?
The canonical SMILES for 3-(4-chlorophenyl)-1-ethylthieno[3,2-d]pyrimidine-2,4-dione is CCn1c(=O)n(-c2ccc(Cl)cc2)c(=O)c2sccc21.
What is the InChIKey of 3-(4-chlorophenyl)-1-ethylthieno[3,2-d]pyrimidine-2,4-dione?
The InChIKey is AVJRTHHVSVIJKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClN2O2S/c1-2-16-11-7-8-20-12(11)13(18)17(14(16)19)10-5-3-9(15)4-6-10/h3-8H,2H2,1H3.
What are the key properties of 3-(4-chlorophenyl)-1-ethylthieno[3,2-d]pyrimidine-2,4-dione?
3-(4-chlorophenyl)-1-ethylthieno[3,2-d]pyrimidine-2,4-dione has a molecular weight of 306.77 g/mol, XLogP of 2.89, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)-1-ethylthieno[3,2-d]pyrimidine-2,4-dione is sourced from PubChem (CID 53331620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).