6-(4-chlorophenyl)-3-hydroxy-1H-thieno[3,2-d]pyrimidine-2,4-dione

C12H7ClN2O3S — CID 134815902

IUPAC6-(4-chlorophenyl)-3-hydroxy-1H-thieno[3,2-d]pyrimidine-2,4-dione
SMILESO=c1[nH]c2cc(-c3ccc(Cl)cc3)sc2c(=O)n1O
InChIInChI=1S/C12H7ClN2O3S/c13-7-3-1-6(2-4-7)9-5-8-10(19-9)11(16)15(18)12(17)14-8/h1-5,18H,(H,14,17)
InChIKeyHZDNBBZTCIOQKW-UHFFFAOYSA-N
MW294.72 g/mol
LogP2.31
Rot. Bonds1

About 6-(4-chlorophenyl)-3-hydroxy-1H-thieno[3,2-d]pyrimidine-2,4-dione

6-(4-chlorophenyl)-3-hydroxy-1H-thieno[3,2-d]pyrimidine-2,4-dione (PubChem CID 134815902) has the molecular formula C12H7ClN2O3S and a molecular weight of 294.72 g/mol. Its IUPAC name is 6-(4-chlorophenyl)-3-hydroxy-1H-thieno[3,2-d]pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-(4-chlorophenyl)-3-hydroxy-1H-thieno[3,2-d]pyrimidine-2,4-dione
PubChem CID134815902
Molecular FormulaC12H7ClN2O3S
Molecular Weight294.72 g/mol
Exact Mass293.99
IUPAC Name6-(4-chlorophenyl)-3-hydroxy-1H-thieno[3,2-d]pyrimidine-2,4-dione
SMILESO=c1[nH]c2cc(-c3ccc(Cl)cc3)sc2c(=O)n1O
InChIInChI=1S/C12H7ClN2O3S/c13-7-3-1-6(2-4-7)9-5-8-10(19-9)11(16)15(18)12(17)14-8/h1-5,18H,(H,14,17)
InChIKeyHZDNBBZTCIOQKW-UHFFFAOYSA-N
XLogP2.31
TPSA75.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.72
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-hydroxyl_pyridine', 'substructure': 'N/A'}

Analyze 6-(4-chlorophenyl)-3-hydroxy-1H-thieno[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

Frequently Asked Questions

What is the IUPAC name of 6-(4-chlorophenyl)-3-hydroxy-1H-thieno[3,2-d]pyrimidine-2,4-dione?
The IUPAC name of 6-(4-chlorophenyl)-3-hydroxy-1H-thieno[3,2-d]pyrimidine-2,4-dione (CID 134815902) is 6-(4-chlorophenyl)-3-hydroxy-1H-thieno[3,2-d]pyrimidine-2,4-dione.
What is the SMILES notation for 6-(4-chlorophenyl)-3-hydroxy-1H-thieno[3,2-d]pyrimidine-2,4-dione?
The canonical SMILES for 6-(4-chlorophenyl)-3-hydroxy-1H-thieno[3,2-d]pyrimidine-2,4-dione is O=c1[nH]c2cc(-c3ccc(Cl)cc3)sc2c(=O)n1O.
What is the InChIKey of 6-(4-chlorophenyl)-3-hydroxy-1H-thieno[3,2-d]pyrimidine-2,4-dione?
The InChIKey is HZDNBBZTCIOQKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7ClN2O3S/c13-7-3-1-6(2-4-7)9-5-8-10(19-9)11(16)15(18)12(17)14-8/h1-5,18H,(H,14,17).
What are the key properties of 6-(4-chlorophenyl)-3-hydroxy-1H-thieno[3,2-d]pyrimidine-2,4-dione?
6-(4-chlorophenyl)-3-hydroxy-1H-thieno[3,2-d]pyrimidine-2,4-dione has a molecular weight of 294.72 g/mol, XLogP of 2.31, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-chlorophenyl)-3-hydroxy-1H-thieno[3,2-d]pyrimidine-2,4-dione is sourced from PubChem (CID 134815902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).