3-ethyl-5-(4-methoxyphenyl)thieno[2,3-d]pyrimidin-4-one

C15H14N2O2S — CID 709185

IUPAC3-ethyl-5-(4-methoxyphenyl)thieno[2,3-d]pyrimidin-4-one
SMILESCCn1cnc2scc(-c3ccc(OC)cc3)c2c1=O
InChIInChI=1S/C15H14N2O2S/c1-3-17-9-16-14-13(15(17)18)12(8-20-14)10-4-6-11(19-2)7-5-10/h4-9H,3H2,1-2H3
InChIKeyGLKFWQZABTXWEA-UHFFFAOYSA-N
MW286.36 g/mol
LogP3.15
Rot. Bonds3

About 3-ethyl-5-(4-methoxyphenyl)thieno[2,3-d]pyrimidin-4-one

3-ethyl-5-(4-methoxyphenyl)thieno[2,3-d]pyrimidin-4-one (PubChem CID 709185) has the molecular formula C15H14N2O2S and a molecular weight of 286.36 g/mol. Its IUPAC name is 3-ethyl-5-(4-methoxyphenyl)thieno[2,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name3-ethyl-5-(4-methoxyphenyl)thieno[2,3-d]pyrimidin-4-one
PubChem CID709185
Molecular FormulaC15H14N2O2S
Molecular Weight286.36 g/mol
Exact Mass286.08
IUPAC Name3-ethyl-5-(4-methoxyphenyl)thieno[2,3-d]pyrimidin-4-one
SMILESCCn1cnc2scc(-c3ccc(OC)cc3)c2c1=O
InChIInChI=1S/C15H14N2O2S/c1-3-17-9-16-14-13(15(17)18)12(8-20-14)10-4-6-11(19-2)7-5-10/h4-9H,3H2,1-2H3
InChIKeyGLKFWQZABTXWEA-UHFFFAOYSA-N
XLogP3.15
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.36
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-5-(4-methoxyphenyl)thieno[2,3-d]pyrimidin-4-one?
The IUPAC name of 3-ethyl-5-(4-methoxyphenyl)thieno[2,3-d]pyrimidin-4-one (CID 709185) is 3-ethyl-5-(4-methoxyphenyl)thieno[2,3-d]pyrimidin-4-one.
What is the SMILES notation for 3-ethyl-5-(4-methoxyphenyl)thieno[2,3-d]pyrimidin-4-one?
The canonical SMILES for 3-ethyl-5-(4-methoxyphenyl)thieno[2,3-d]pyrimidin-4-one is CCn1cnc2scc(-c3ccc(OC)cc3)c2c1=O.
What is the InChIKey of 3-ethyl-5-(4-methoxyphenyl)thieno[2,3-d]pyrimidin-4-one?
The InChIKey is GLKFWQZABTXWEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O2S/c1-3-17-9-16-14-13(15(17)18)12(8-20-14)10-4-6-11(19-2)7-5-10/h4-9H,3H2,1-2H3.
What are the key properties of 3-ethyl-5-(4-methoxyphenyl)thieno[2,3-d]pyrimidin-4-one?
3-ethyl-5-(4-methoxyphenyl)thieno[2,3-d]pyrimidin-4-one has a molecular weight of 286.36 g/mol, XLogP of 3.15, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-5-(4-methoxyphenyl)thieno[2,3-d]pyrimidin-4-one is sourced from PubChem (CID 709185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).