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

C12H7FN2O3S — CID 134816129

IUPAC6-(4-fluorophenyl)-3-hydroxy-1H-thieno[3,2-d]pyrimidine-2,4-dione
SMILESO=c1[nH]c2cc(-c3ccc(F)cc3)sc2c(=O)n1O
InChIInChI=1S/C12H7FN2O3S/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)
InChIKeyJNNDEFIMDQMVOX-UHFFFAOYSA-N
MW278.26 g/mol
LogP1.79
Rot. Bonds1

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

6-(4-fluorophenyl)-3-hydroxy-1H-thieno[3,2-d]pyrimidine-2,4-dione (PubChem CID 134816129) has the molecular formula C12H7FN2O3S and a molecular weight of 278.26 g/mol. Its IUPAC name is 6-(4-fluorophenyl)-3-hydroxy-1H-thieno[3,2-d]pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-(4-fluorophenyl)-3-hydroxy-1H-thieno[3,2-d]pyrimidine-2,4-dione
PubChem CID134816129
Molecular FormulaC12H7FN2O3S
Molecular Weight278.26 g/mol
Exact Mass278.02
IUPAC Name6-(4-fluorophenyl)-3-hydroxy-1H-thieno[3,2-d]pyrimidine-2,4-dione
SMILESO=c1[nH]c2cc(-c3ccc(F)cc3)sc2c(=O)n1O
InChIInChI=1S/C12H7FN2O3S/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)
InChIKeyJNNDEFIMDQMVOX-UHFFFAOYSA-N
XLogP1.79
TPSA75.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.26
LogP ≤ 51.79
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 6-(4-fluorophenyl)-3-hydroxy-1H-thieno[3,2-d]pyrimidine-2,4-dione?
The IUPAC name of 6-(4-fluorophenyl)-3-hydroxy-1H-thieno[3,2-d]pyrimidine-2,4-dione (CID 134816129) is 6-(4-fluorophenyl)-3-hydroxy-1H-thieno[3,2-d]pyrimidine-2,4-dione.
What is the SMILES notation for 6-(4-fluorophenyl)-3-hydroxy-1H-thieno[3,2-d]pyrimidine-2,4-dione?
The canonical SMILES for 6-(4-fluorophenyl)-3-hydroxy-1H-thieno[3,2-d]pyrimidine-2,4-dione is O=c1[nH]c2cc(-c3ccc(F)cc3)sc2c(=O)n1O.
What is the InChIKey of 6-(4-fluorophenyl)-3-hydroxy-1H-thieno[3,2-d]pyrimidine-2,4-dione?
The InChIKey is JNNDEFIMDQMVOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7FN2O3S/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-fluorophenyl)-3-hydroxy-1H-thieno[3,2-d]pyrimidine-2,4-dione?
6-(4-fluorophenyl)-3-hydroxy-1H-thieno[3,2-d]pyrimidine-2,4-dione has a molecular weight of 278.26 g/mol, XLogP of 1.79, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-fluorophenyl)-3-hydroxy-1H-thieno[3,2-d]pyrimidine-2,4-dione is sourced from PubChem (CID 134816129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).