6-ethyl-2-(furan-3-yl)-3H-thieno[2,3-d]pyrimidin-4-one

C12H10N2O2S — CID 71878833

IUPAC6-ethyl-2-(furan-3-yl)-3H-thieno[2,3-d]pyrimidin-4-one
SMILESCCc1cc2c(=O)[nH]c(-c3ccoc3)nc2s1
InChIInChI=1S/C12H10N2O2S/c1-2-8-5-9-11(15)13-10(14-12(9)17-8)7-3-4-16-6-7/h3-6H,2H2,1H3,(H,13,14,15)
InChIKeyWESMFTUKYUALDR-UHFFFAOYSA-N
MW246.29 g/mol
LogP2.81
Rot. Bonds2

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

6-ethyl-2-(furan-3-yl)-3H-thieno[2,3-d]pyrimidin-4-one (PubChem CID 71878833) has the molecular formula C12H10N2O2S and a molecular weight of 246.29 g/mol. Its IUPAC name is 6-ethyl-2-(furan-3-yl)-3H-thieno[2,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name6-ethyl-2-(furan-3-yl)-3H-thieno[2,3-d]pyrimidin-4-one
PubChem CID71878833
Molecular FormulaC12H10N2O2S
Molecular Weight246.29 g/mol
Exact Mass246.05
IUPAC Name6-ethyl-2-(furan-3-yl)-3H-thieno[2,3-d]pyrimidin-4-one
SMILESCCc1cc2c(=O)[nH]c(-c3ccoc3)nc2s1
InChIInChI=1S/C12H10N2O2S/c1-2-8-5-9-11(15)13-10(14-12(9)17-8)7-3-4-16-6-7/h3-6H,2H2,1H3,(H,13,14,15)
InChIKeyWESMFTUKYUALDR-UHFFFAOYSA-N
XLogP2.81
TPSA58.89 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.29
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-ethyl-2-(furan-3-yl)-3H-thieno[2,3-d]pyrimidin-4-one?
The IUPAC name of 6-ethyl-2-(furan-3-yl)-3H-thieno[2,3-d]pyrimidin-4-one (CID 71878833) is 6-ethyl-2-(furan-3-yl)-3H-thieno[2,3-d]pyrimidin-4-one.
What is the SMILES notation for 6-ethyl-2-(furan-3-yl)-3H-thieno[2,3-d]pyrimidin-4-one?
The canonical SMILES for 6-ethyl-2-(furan-3-yl)-3H-thieno[2,3-d]pyrimidin-4-one is CCc1cc2c(=O)[nH]c(-c3ccoc3)nc2s1.
What is the InChIKey of 6-ethyl-2-(furan-3-yl)-3H-thieno[2,3-d]pyrimidin-4-one?
The InChIKey is WESMFTUKYUALDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N2O2S/c1-2-8-5-9-11(15)13-10(14-12(9)17-8)7-3-4-16-6-7/h3-6H,2H2,1H3,(H,13,14,15).
What are the key properties of 6-ethyl-2-(furan-3-yl)-3H-thieno[2,3-d]pyrimidin-4-one?
6-ethyl-2-(furan-3-yl)-3H-thieno[2,3-d]pyrimidin-4-one has a molecular weight of 246.29 g/mol, XLogP of 2.81, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-2-(furan-3-yl)-3H-thieno[2,3-d]pyrimidin-4-one is sourced from PubChem (CID 71878833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).