5-(4-fluorophenyl)-6-methyl-3H-thieno[2,3-d]pyrimidin-4-one

C13H9FN2OS — CID 711228

IUPAC5-(4-fluorophenyl)-6-methyl-3H-thieno[2,3-d]pyrimidin-4-one
SMILESCc1sc2nc[nH]c(=O)c2c1-c1ccc(F)cc1
InChIInChI=1S/C13H9FN2OS/c1-7-10(8-2-4-9(14)5-3-8)11-12(17)15-6-16-13(11)18-7/h2-6H,1H3,(H,15,16,17)
InChIKeyLZPGXBQPTBABDT-UHFFFAOYSA-N
MW260.29 g/mol
LogP3.10
Rot. Bonds1

About 5-(4-fluorophenyl)-6-methyl-3H-thieno[2,3-d]pyrimidin-4-one

5-(4-fluorophenyl)-6-methyl-3H-thieno[2,3-d]pyrimidin-4-one (PubChem CID 711228) has the molecular formula C13H9FN2OS and a molecular weight of 260.29 g/mol. Its IUPAC name is 5-(4-fluorophenyl)-6-methyl-3H-thieno[2,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name5-(4-fluorophenyl)-6-methyl-3H-thieno[2,3-d]pyrimidin-4-one
PubChem CID711228
Molecular FormulaC13H9FN2OS
Molecular Weight260.29 g/mol
Exact Mass260.04
IUPAC Name5-(4-fluorophenyl)-6-methyl-3H-thieno[2,3-d]pyrimidin-4-one
SMILESCc1sc2nc[nH]c(=O)c2c1-c1ccc(F)cc1
InChIInChI=1S/C13H9FN2OS/c1-7-10(8-2-4-9(14)5-3-8)11-12(17)15-6-16-13(11)18-7/h2-6H,1H3,(H,15,16,17)
InChIKeyLZPGXBQPTBABDT-UHFFFAOYSA-N
XLogP3.10
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.29
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(4-fluorophenyl)-6-methyl-3H-thieno[2,3-d]pyrimidin-4-one?
The IUPAC name of 5-(4-fluorophenyl)-6-methyl-3H-thieno[2,3-d]pyrimidin-4-one (CID 711228) is 5-(4-fluorophenyl)-6-methyl-3H-thieno[2,3-d]pyrimidin-4-one.
What is the SMILES notation for 5-(4-fluorophenyl)-6-methyl-3H-thieno[2,3-d]pyrimidin-4-one?
The canonical SMILES for 5-(4-fluorophenyl)-6-methyl-3H-thieno[2,3-d]pyrimidin-4-one is Cc1sc2nc[nH]c(=O)c2c1-c1ccc(F)cc1.
What is the InChIKey of 5-(4-fluorophenyl)-6-methyl-3H-thieno[2,3-d]pyrimidin-4-one?
The InChIKey is LZPGXBQPTBABDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9FN2OS/c1-7-10(8-2-4-9(14)5-3-8)11-12(17)15-6-16-13(11)18-7/h2-6H,1H3,(H,15,16,17).
What are the key properties of 5-(4-fluorophenyl)-6-methyl-3H-thieno[2,3-d]pyrimidin-4-one?
5-(4-fluorophenyl)-6-methyl-3H-thieno[2,3-d]pyrimidin-4-one has a molecular weight of 260.29 g/mol, XLogP of 3.10, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-fluorophenyl)-6-methyl-3H-thieno[2,3-d]pyrimidin-4-one is sourced from PubChem (CID 711228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).