6-ethyl-3-(2-oxopropyl)thieno[2,3-d]pyrimidin-4-one

C11H12N2O2S — CID 733710

IUPAC6-ethyl-3-(2-oxopropyl)thieno[2,3-d]pyrimidin-4-one
SMILESCCc1cc2c(=O)n(CC(C)=O)cnc2s1
InChIInChI=1S/C11H12N2O2S/c1-3-8-4-9-10(16-8)12-6-13(11(9)15)5-7(2)14/h4,6H,3,5H2,1-2H3
InChIKeyKGAWUIRGSWENOO-UHFFFAOYSA-N
MW236.30 g/mol
LogP1.61
Rot. Bonds3

About 6-ethyl-3-(2-oxopropyl)thieno[2,3-d]pyrimidin-4-one

6-ethyl-3-(2-oxopropyl)thieno[2,3-d]pyrimidin-4-one (PubChem CID 733710) has the molecular formula C11H12N2O2S and a molecular weight of 236.30 g/mol. Its IUPAC name is 6-ethyl-3-(2-oxopropyl)thieno[2,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name6-ethyl-3-(2-oxopropyl)thieno[2,3-d]pyrimidin-4-one
PubChem CID733710
Molecular FormulaC11H12N2O2S
Molecular Weight236.30 g/mol
Exact Mass236.06
IUPAC Name6-ethyl-3-(2-oxopropyl)thieno[2,3-d]pyrimidin-4-one
SMILESCCc1cc2c(=O)n(CC(C)=O)cnc2s1
InChIInChI=1S/C11H12N2O2S/c1-3-8-4-9-10(16-8)12-6-13(11(9)15)5-7(2)14/h4,6H,3,5H2,1-2H3
InChIKeyKGAWUIRGSWENOO-UHFFFAOYSA-N
XLogP1.61
TPSA51.96 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.30
LogP ≤ 51.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-ethyl-3-(2-oxopropyl)thieno[2,3-d]pyrimidin-4-one?
The IUPAC name of 6-ethyl-3-(2-oxopropyl)thieno[2,3-d]pyrimidin-4-one (CID 733710) is 6-ethyl-3-(2-oxopropyl)thieno[2,3-d]pyrimidin-4-one.
What is the SMILES notation for 6-ethyl-3-(2-oxopropyl)thieno[2,3-d]pyrimidin-4-one?
The canonical SMILES for 6-ethyl-3-(2-oxopropyl)thieno[2,3-d]pyrimidin-4-one is CCc1cc2c(=O)n(CC(C)=O)cnc2s1.
What is the InChIKey of 6-ethyl-3-(2-oxopropyl)thieno[2,3-d]pyrimidin-4-one?
The InChIKey is KGAWUIRGSWENOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O2S/c1-3-8-4-9-10(16-8)12-6-13(11(9)15)5-7(2)14/h4,6H,3,5H2,1-2H3.
What are the key properties of 6-ethyl-3-(2-oxopropyl)thieno[2,3-d]pyrimidin-4-one?
6-ethyl-3-(2-oxopropyl)thieno[2,3-d]pyrimidin-4-one has a molecular weight of 236.30 g/mol, XLogP of 1.61, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-3-(2-oxopropyl)thieno[2,3-d]pyrimidin-4-one is sourced from PubChem (CID 733710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).