3-hydroxy-5-phenyl-1H-thieno[2,3-d]pyrimidine-2,4-dione

C12H8N2O3S — CID 134815751

IUPAC3-hydroxy-5-phenyl-1H-thieno[2,3-d]pyrimidine-2,4-dione
SMILESO=c1[nH]c2scc(-c3ccccc3)c2c(=O)n1O
InChIInChI=1S/C12H8N2O3S/c15-11-9-8(7-4-2-1-3-5-7)6-18-10(9)13-12(16)14(11)17/h1-6,17H,(H,13,16)
InChIKeyMRHQBMPZNODPQD-UHFFFAOYSA-N
MW260.27 g/mol
LogP1.66
Rot. Bonds1

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

3-hydroxy-5-phenyl-1H-thieno[2,3-d]pyrimidine-2,4-dione (PubChem CID 134815751) has the molecular formula C12H8N2O3S and a molecular weight of 260.27 g/mol. Its IUPAC name is 3-hydroxy-5-phenyl-1H-thieno[2,3-d]pyrimidine-2,4-dione.

Molecular Properties

Compound Name3-hydroxy-5-phenyl-1H-thieno[2,3-d]pyrimidine-2,4-dione
PubChem CID134815751
Molecular FormulaC12H8N2O3S
Molecular Weight260.27 g/mol
Exact Mass260.03
IUPAC Name3-hydroxy-5-phenyl-1H-thieno[2,3-d]pyrimidine-2,4-dione
SMILESO=c1[nH]c2scc(-c3ccccc3)c2c(=O)n1O
InChIInChI=1S/C12H8N2O3S/c15-11-9-8(7-4-2-1-3-5-7)6-18-10(9)13-12(16)14(11)17/h1-6,17H,(H,13,16)
InChIKeyMRHQBMPZNODPQD-UHFFFAOYSA-N
XLogP1.66
TPSA75.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.27
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 3-hydroxy-5-phenyl-1H-thieno[2,3-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

Tpca-1
CID 9903786
3-prop-2-enyl-2-sulfanylidene-5,6,7,8-tetrahydro-1H-[1]benzothiolo[2,3-d]pyrimidin-4-one
CID 812443
5-Phenyl-2-Ureidothiophene-3-Carboxamide
CID 6419765
3-Hydroxy-7-phenyl-1H-thieno[3,2-d]pyrimidine-2,4-dione
CID 11507180
3-Hydroxy-6-phenyl-1H-thieno[3,2-d]pyrimidine-2,4-dione
CID 11514445
3-Hydroxy-1H-benzo[4,5]thieno[3,2-d]pyrimidine-2,4-dione
CID 11528774
3-Hydroxy-5-methyl-1-phenyl-1H-thieno[2,3-d]pyrimidine-2,4-dione
CID 11551001
2-Benzamido-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxamide
CID 678544
6-benzyl-3-hydroxythieno[2,3-d]pyrimidine-2,4(1H,3H)-dione
CID 134693782
5,6-Dibutyl-3-hydroxy-1H-thieno[2,3-d]pyrimidine-2,4-dione
CID 11020941
1-Benzyl-3-hydroxythieno[2,3-d]pyrimidine-2,4(1H,3H)-dione
CID 44392260
3-methyl-2-sulfanyl-5-(thiophen-2-yl)-3H,4H-thieno[2,3-d]pyrimidin-4-one
CID 3746307

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-5-phenyl-1H-thieno[2,3-d]pyrimidine-2,4-dione?
The IUPAC name of 3-hydroxy-5-phenyl-1H-thieno[2,3-d]pyrimidine-2,4-dione (CID 134815751) is 3-hydroxy-5-phenyl-1H-thieno[2,3-d]pyrimidine-2,4-dione.
What is the SMILES notation for 3-hydroxy-5-phenyl-1H-thieno[2,3-d]pyrimidine-2,4-dione?
The canonical SMILES for 3-hydroxy-5-phenyl-1H-thieno[2,3-d]pyrimidine-2,4-dione is O=c1[nH]c2scc(-c3ccccc3)c2c(=O)n1O.
What is the InChIKey of 3-hydroxy-5-phenyl-1H-thieno[2,3-d]pyrimidine-2,4-dione?
The InChIKey is MRHQBMPZNODPQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8N2O3S/c15-11-9-8(7-4-2-1-3-5-7)6-18-10(9)13-12(16)14(11)17/h1-6,17H,(H,13,16).
What are the key properties of 3-hydroxy-5-phenyl-1H-thieno[2,3-d]pyrimidine-2,4-dione?
3-hydroxy-5-phenyl-1H-thieno[2,3-d]pyrimidine-2,4-dione has a molecular weight of 260.27 g/mol, XLogP of 1.66, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-5-phenyl-1H-thieno[2,3-d]pyrimidine-2,4-dione is sourced from PubChem (CID 134815751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).