3-hydroxy-7-phenyl-1H-thieno[3,2-d]pyrimidine-2,4-dione

C12H8N2O3S — CID 11507180

IUPAC3-hydroxy-7-phenyl-1H-thieno[3,2-d]pyrimidine-2,4-dione
SMILESO=c1[nH]c2c(-c3ccccc3)csc2c(=O)n1O
InChIInChI=1S/C12H8N2O3S/c15-11-10-9(13-12(16)14(11)17)8(6-18-10)7-4-2-1-3-5-7/h1-6,17H,(H,13,16)
InChIKeyZFJVGRVFNSWCRQ-UHFFFAOYSA-N
MW260.27 g/mol
LogP1.66
Rot. Bonds1

About 3-hydroxy-7-phenyl-1H-thieno[3,2-d]pyrimidine-2,4-dione

3-hydroxy-7-phenyl-1H-thieno[3,2-d]pyrimidine-2,4-dione (PubChem CID 11507180) has the molecular formula C12H8N2O3S and a molecular weight of 260.27 g/mol. Its IUPAC name is 3-hydroxy-7-phenyl-1H-thieno[3,2-d]pyrimidine-2,4-dione.

Molecular Properties

Compound Name3-hydroxy-7-phenyl-1H-thieno[3,2-d]pyrimidine-2,4-dione
PubChem CID11507180
Molecular FormulaC12H8N2O3S
Molecular Weight260.27 g/mol
Exact Mass260.03
IUPAC Name3-hydroxy-7-phenyl-1H-thieno[3,2-d]pyrimidine-2,4-dione
SMILESO=c1[nH]c2c(-c3ccccc3)csc2c(=O)n1O
InChIInChI=1S/C12H8N2O3S/c15-11-10-9(13-12(16)14(11)17)8(6-18-10)7-4-2-1-3-5-7/h1-6,17H,(H,13,16)
InChIKeyZFJVGRVFNSWCRQ-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'}

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Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-7-phenyl-1H-thieno[3,2-d]pyrimidine-2,4-dione?
The IUPAC name of 3-hydroxy-7-phenyl-1H-thieno[3,2-d]pyrimidine-2,4-dione (CID 11507180) is 3-hydroxy-7-phenyl-1H-thieno[3,2-d]pyrimidine-2,4-dione.
What is the SMILES notation for 3-hydroxy-7-phenyl-1H-thieno[3,2-d]pyrimidine-2,4-dione?
The canonical SMILES for 3-hydroxy-7-phenyl-1H-thieno[3,2-d]pyrimidine-2,4-dione is O=c1[nH]c2c(-c3ccccc3)csc2c(=O)n1O.
What is the InChIKey of 3-hydroxy-7-phenyl-1H-thieno[3,2-d]pyrimidine-2,4-dione?
The InChIKey is ZFJVGRVFNSWCRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8N2O3S/c15-11-10-9(13-12(16)14(11)17)8(6-18-10)7-4-2-1-3-5-7/h1-6,17H,(H,13,16).
What are the key properties of 3-hydroxy-7-phenyl-1H-thieno[3,2-d]pyrimidine-2,4-dione?
3-hydroxy-7-phenyl-1H-thieno[3,2-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-7-phenyl-1H-thieno[3,2-d]pyrimidine-2,4-dione is sourced from PubChem (CID 11507180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).