5-(4-chlorophenyl)-3-hydroxy-1H-thieno[2,3-d]pyrimidine-2,4-dione

C12H7ClN2O3S — CID 134815903

IUPAC5-(4-chlorophenyl)-3-hydroxy-1H-thieno[2,3-d]pyrimidine-2,4-dione
SMILESO=c1[nH]c2scc(-c3ccc(Cl)cc3)c2c(=O)n1O
InChIInChI=1S/C12H7ClN2O3S/c13-7-3-1-6(2-4-7)8-5-19-10-9(8)11(16)15(18)12(17)14-10/h1-5,18H,(H,14,17)
InChIKeyXYODWLVSDUEGOQ-UHFFFAOYSA-N
MW294.72 g/mol
LogP2.31
Rot. Bonds1

About 5-(4-chlorophenyl)-3-hydroxy-1H-thieno[2,3-d]pyrimidine-2,4-dione

5-(4-chlorophenyl)-3-hydroxy-1H-thieno[2,3-d]pyrimidine-2,4-dione (PubChem CID 134815903) has the molecular formula C12H7ClN2O3S and a molecular weight of 294.72 g/mol. Its IUPAC name is 5-(4-chlorophenyl)-3-hydroxy-1H-thieno[2,3-d]pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-(4-chlorophenyl)-3-hydroxy-1H-thieno[2,3-d]pyrimidine-2,4-dione
PubChem CID134815903
Molecular FormulaC12H7ClN2O3S
Molecular Weight294.72 g/mol
Exact Mass293.99
IUPAC Name5-(4-chlorophenyl)-3-hydroxy-1H-thieno[2,3-d]pyrimidine-2,4-dione
SMILESO=c1[nH]c2scc(-c3ccc(Cl)cc3)c2c(=O)n1O
InChIInChI=1S/C12H7ClN2O3S/c13-7-3-1-6(2-4-7)8-5-19-10-9(8)11(16)15(18)12(17)14-10/h1-5,18H,(H,14,17)
InChIKeyXYODWLVSDUEGOQ-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'}

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Related Compounds

3-Hydroxy-7-phenyl-1H-thieno[3,2-d]pyrimidine-2,4-dione
CID 11507180
6-benzyl-3-hydroxythieno[2,3-d]pyrimidine-2,4(1H,3H)-dione
CID 134693782
2-(4-Chlorobenzamido)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxamide
CID 2066142
2-({[(4-Chlorophenyl)carbonyl]carbamothioyl}amino)-6-ethyl-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carboxamide
CID 1933203
3-hydroxy-5-phenyl-1H-thieno[2,3-d]pyrimidine-2,4-dione
CID 134815751
6-(4-chlorophenyl)-3-hydroxy-1H-thieno[3,2-d]pyrimidine-2,4-dione
CID 134815902
3-hydroxy-6-phenyl-1H-thieno[2,3-d]pyrimidine-2,4-dione
CID 134816651
6-(4-chlorophenyl)-3-(3-hydroxypropyl)-1,5-dimethylthieno[2,3-d]pyrimidine-2,4(1H,3H)-dione
CID 118863115
3-benzyl-6-(4-chlorophenyl)-5-methyl-1H-thieno[2,3-d]pyrimidine-2,4-dione
CID 167495682
3-benzyl-6-(2,4-dichlorophenyl)-5-methyl-1H-thieno[2,3-d]pyrimidine-2,4-dione
CID 167495684
6-(4-chlorophenyl)-5-methyl-3-[[4-(trifluoromethyl)phenyl]methyl]-1H-thieno[2,3-d]pyrimidine-2,4-dione
CID 167495697
3-benzyl-6-(3,4-dichlorophenyl)-5-methyl-1H-thieno[2,3-d]pyrimidine-2,4-dione
CID 167495700

Frequently Asked Questions

What is the IUPAC name of 5-(4-chlorophenyl)-3-hydroxy-1H-thieno[2,3-d]pyrimidine-2,4-dione?
The IUPAC name of 5-(4-chlorophenyl)-3-hydroxy-1H-thieno[2,3-d]pyrimidine-2,4-dione (CID 134815903) is 5-(4-chlorophenyl)-3-hydroxy-1H-thieno[2,3-d]pyrimidine-2,4-dione.
What is the SMILES notation for 5-(4-chlorophenyl)-3-hydroxy-1H-thieno[2,3-d]pyrimidine-2,4-dione?
The canonical SMILES for 5-(4-chlorophenyl)-3-hydroxy-1H-thieno[2,3-d]pyrimidine-2,4-dione is O=c1[nH]c2scc(-c3ccc(Cl)cc3)c2c(=O)n1O.
What is the InChIKey of 5-(4-chlorophenyl)-3-hydroxy-1H-thieno[2,3-d]pyrimidine-2,4-dione?
The InChIKey is XYODWLVSDUEGOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7ClN2O3S/c13-7-3-1-6(2-4-7)8-5-19-10-9(8)11(16)15(18)12(17)14-10/h1-5,18H,(H,14,17).
What are the key properties of 5-(4-chlorophenyl)-3-hydroxy-1H-thieno[2,3-d]pyrimidine-2,4-dione?
5-(4-chlorophenyl)-3-hydroxy-1H-thieno[2,3-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 5-(4-chlorophenyl)-3-hydroxy-1H-thieno[2,3-d]pyrimidine-2,4-dione is sourced from PubChem (CID 134815903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).