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

C14H12N2O2S — CID 724933

IUPAC5-(4-ethoxyphenyl)-3H-thieno[2,3-d]pyrimidin-4-one
SMILESCCOc1ccc(-c2csc3nc[nH]c(=O)c23)cc1
InChIInChI=1S/C14H12N2O2S/c1-2-18-10-5-3-9(4-6-10)11-7-19-14-12(11)13(17)15-8-16-14/h3-8H,2H2,1H3,(H,15,16,17)
InChIKeyZGLDOJGKZUHSDE-UHFFFAOYSA-N
MW272.33 g/mol
LogP3.05
Rot. Bonds3

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

5-(4-ethoxyphenyl)-3H-thieno[2,3-d]pyrimidin-4-one (PubChem CID 724933) has the molecular formula C14H12N2O2S and a molecular weight of 272.33 g/mol. Its IUPAC name is 5-(4-ethoxyphenyl)-3H-thieno[2,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name5-(4-ethoxyphenyl)-3H-thieno[2,3-d]pyrimidin-4-one
PubChem CID724933
Molecular FormulaC14H12N2O2S
Molecular Weight272.33 g/mol
Exact Mass272.06
IUPAC Name5-(4-ethoxyphenyl)-3H-thieno[2,3-d]pyrimidin-4-one
SMILESCCOc1ccc(-c2csc3nc[nH]c(=O)c23)cc1
InChIInChI=1S/C14H12N2O2S/c1-2-18-10-5-3-9(4-6-10)11-7-19-14-12(11)13(17)15-8-16-14/h3-8H,2H2,1H3,(H,15,16,17)
InChIKeyZGLDOJGKZUHSDE-UHFFFAOYSA-N
XLogP3.05
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.33
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(4-ethoxyphenyl)-3H-thieno[2,3-d]pyrimidin-4-one?
The IUPAC name of 5-(4-ethoxyphenyl)-3H-thieno[2,3-d]pyrimidin-4-one (CID 724933) is 5-(4-ethoxyphenyl)-3H-thieno[2,3-d]pyrimidin-4-one.
What is the SMILES notation for 5-(4-ethoxyphenyl)-3H-thieno[2,3-d]pyrimidin-4-one?
The canonical SMILES for 5-(4-ethoxyphenyl)-3H-thieno[2,3-d]pyrimidin-4-one is CCOc1ccc(-c2csc3nc[nH]c(=O)c23)cc1.
What is the InChIKey of 5-(4-ethoxyphenyl)-3H-thieno[2,3-d]pyrimidin-4-one?
The InChIKey is ZGLDOJGKZUHSDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2O2S/c1-2-18-10-5-3-9(4-6-10)11-7-19-14-12(11)13(17)15-8-16-14/h3-8H,2H2,1H3,(H,15,16,17).
What are the key properties of 5-(4-ethoxyphenyl)-3H-thieno[2,3-d]pyrimidin-4-one?
5-(4-ethoxyphenyl)-3H-thieno[2,3-d]pyrimidin-4-one has a molecular weight of 272.33 g/mol, XLogP of 3.05, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-ethoxyphenyl)-3H-thieno[2,3-d]pyrimidin-4-one is sourced from PubChem (CID 724933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).