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

C15H14N2O2S — CID 733733

IUPAC5-(4-ethoxyphenyl)-6-methyl-3H-thieno[2,3-d]pyrimidin-4-one
SMILESCCOc1ccc(-c2c(C)sc3nc[nH]c(=O)c23)cc1
InChIInChI=1S/C15H14N2O2S/c1-3-19-11-6-4-10(5-7-11)12-9(2)20-15-13(12)14(18)16-8-17-15/h4-8H,3H2,1-2H3,(H,16,17,18)
InChIKeyUWMILOXUWBBYSU-UHFFFAOYSA-N
MW286.36 g/mol
LogP3.36
Rot. Bonds3

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

5-(4-ethoxyphenyl)-6-methyl-3H-thieno[2,3-d]pyrimidin-4-one (PubChem CID 733733) has the molecular formula C15H14N2O2S and a molecular weight of 286.36 g/mol. Its IUPAC name is 5-(4-ethoxyphenyl)-6-methyl-3H-thieno[2,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name5-(4-ethoxyphenyl)-6-methyl-3H-thieno[2,3-d]pyrimidin-4-one
PubChem CID733733
Molecular FormulaC15H14N2O2S
Molecular Weight286.36 g/mol
Exact Mass286.08
IUPAC Name5-(4-ethoxyphenyl)-6-methyl-3H-thieno[2,3-d]pyrimidin-4-one
SMILESCCOc1ccc(-c2c(C)sc3nc[nH]c(=O)c23)cc1
InChIInChI=1S/C15H14N2O2S/c1-3-19-11-6-4-10(5-7-11)12-9(2)20-15-13(12)14(18)16-8-17-15/h4-8H,3H2,1-2H3,(H,16,17,18)
InChIKeyUWMILOXUWBBYSU-UHFFFAOYSA-N
XLogP3.36
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.36
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(4-ethoxyphenyl)-6-methyl-3H-thieno[2,3-d]pyrimidin-4-one?
The IUPAC name of 5-(4-ethoxyphenyl)-6-methyl-3H-thieno[2,3-d]pyrimidin-4-one (CID 733733) is 5-(4-ethoxyphenyl)-6-methyl-3H-thieno[2,3-d]pyrimidin-4-one.
What is the SMILES notation for 5-(4-ethoxyphenyl)-6-methyl-3H-thieno[2,3-d]pyrimidin-4-one?
The canonical SMILES for 5-(4-ethoxyphenyl)-6-methyl-3H-thieno[2,3-d]pyrimidin-4-one is CCOc1ccc(-c2c(C)sc3nc[nH]c(=O)c23)cc1.
What is the InChIKey of 5-(4-ethoxyphenyl)-6-methyl-3H-thieno[2,3-d]pyrimidin-4-one?
The InChIKey is UWMILOXUWBBYSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O2S/c1-3-19-11-6-4-10(5-7-11)12-9(2)20-15-13(12)14(18)16-8-17-15/h4-8H,3H2,1-2H3,(H,16,17,18).
What are the key properties of 5-(4-ethoxyphenyl)-6-methyl-3H-thieno[2,3-d]pyrimidin-4-one?
5-(4-ethoxyphenyl)-6-methyl-3H-thieno[2,3-d]pyrimidin-4-one has a molecular weight of 286.36 g/mol, XLogP of 3.36, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-ethoxyphenyl)-6-methyl-3H-thieno[2,3-d]pyrimidin-4-one is sourced from PubChem (CID 733733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).