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

C14H12N2OS — CID 724921

IUPAC5-(4-ethylphenyl)-3H-thieno[2,3-d]pyrimidin-4-one
SMILESCCc1ccc(-c2csc3nc[nH]c(=O)c23)cc1
InChIInChI=1S/C14H12N2OS/c1-2-9-3-5-10(6-4-9)11-7-18-14-12(11)13(17)15-8-16-14/h3-8H,2H2,1H3,(H,15,16,17)
InChIKeyWHHHTWYBGBQPMP-UHFFFAOYSA-N
MW256.33 g/mol
LogP3.21
Rot. Bonds2

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

5-(4-ethylphenyl)-3H-thieno[2,3-d]pyrimidin-4-one (PubChem CID 724921) has the molecular formula C14H12N2OS and a molecular weight of 256.33 g/mol. Its IUPAC name is 5-(4-ethylphenyl)-3H-thieno[2,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name5-(4-ethylphenyl)-3H-thieno[2,3-d]pyrimidin-4-one
PubChem CID724921
Molecular FormulaC14H12N2OS
Molecular Weight256.33 g/mol
Exact Mass256.07
IUPAC Name5-(4-ethylphenyl)-3H-thieno[2,3-d]pyrimidin-4-one
SMILESCCc1ccc(-c2csc3nc[nH]c(=O)c23)cc1
InChIInChI=1S/C14H12N2OS/c1-2-9-3-5-10(6-4-9)11-7-18-14-12(11)13(17)15-8-16-14/h3-8H,2H2,1H3,(H,15,16,17)
InChIKeyWHHHTWYBGBQPMP-UHFFFAOYSA-N
XLogP3.21
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.33
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(4-ethylphenyl)-3H-thieno[2,3-d]pyrimidin-4-one?
The IUPAC name of 5-(4-ethylphenyl)-3H-thieno[2,3-d]pyrimidin-4-one (CID 724921) is 5-(4-ethylphenyl)-3H-thieno[2,3-d]pyrimidin-4-one.
What is the SMILES notation for 5-(4-ethylphenyl)-3H-thieno[2,3-d]pyrimidin-4-one?
The canonical SMILES for 5-(4-ethylphenyl)-3H-thieno[2,3-d]pyrimidin-4-one is CCc1ccc(-c2csc3nc[nH]c(=O)c23)cc1.
What is the InChIKey of 5-(4-ethylphenyl)-3H-thieno[2,3-d]pyrimidin-4-one?
The InChIKey is WHHHTWYBGBQPMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2OS/c1-2-9-3-5-10(6-4-9)11-7-18-14-12(11)13(17)15-8-16-14/h3-8H,2H2,1H3,(H,15,16,17).
What are the key properties of 5-(4-ethylphenyl)-3H-thieno[2,3-d]pyrimidin-4-one?
5-(4-ethylphenyl)-3H-thieno[2,3-d]pyrimidin-4-one has a molecular weight of 256.33 g/mol, XLogP of 3.21, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-ethylphenyl)-3H-thieno[2,3-d]pyrimidin-4-one is sourced from PubChem (CID 724921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).