6-ethyl-2-pyridin-2-yl-3H-thieno[2,3-d]pyrimidin-4-one

C13H11N3OS — CID 852940

IUPAC6-ethyl-2-pyridin-2-yl-3H-thieno[2,3-d]pyrimidin-4-one
SMILESCCc1cc2c(=O)[nH]c(-c3ccccn3)nc2s1
InChIInChI=1S/C13H11N3OS/c1-2-8-7-9-12(17)15-11(16-13(9)18-8)10-5-3-4-6-14-10/h3-7H,2H2,1H3,(H,15,16,17)
InChIKeyCREYUURVAPLCCE-UHFFFAOYSA-N
MW257.32 g/mol
LogP2.61
Rot. Bonds2

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

6-ethyl-2-pyridin-2-yl-3H-thieno[2,3-d]pyrimidin-4-one (PubChem CID 852940) has the molecular formula C13H11N3OS and a molecular weight of 257.32 g/mol. Its IUPAC name is 6-ethyl-2-pyridin-2-yl-3H-thieno[2,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name6-ethyl-2-pyridin-2-yl-3H-thieno[2,3-d]pyrimidin-4-one
PubChem CID852940
Molecular FormulaC13H11N3OS
Molecular Weight257.32 g/mol
Exact Mass257.06
IUPAC Name6-ethyl-2-pyridin-2-yl-3H-thieno[2,3-d]pyrimidin-4-one
SMILESCCc1cc2c(=O)[nH]c(-c3ccccn3)nc2s1
InChIInChI=1S/C13H11N3OS/c1-2-8-7-9-12(17)15-11(16-13(9)18-8)10-5-3-4-6-14-10/h3-7H,2H2,1H3,(H,15,16,17)
InChIKeyCREYUURVAPLCCE-UHFFFAOYSA-N
XLogP2.61
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.32
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 6-ethyl-2-pyridin-2-yl-3H-thieno[2,3-d]pyrimidin-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-ethyl-2-pyridin-2-yl-3H-thieno[2,3-d]pyrimidin-4-one?
The IUPAC name of 6-ethyl-2-pyridin-2-yl-3H-thieno[2,3-d]pyrimidin-4-one (CID 852940) is 6-ethyl-2-pyridin-2-yl-3H-thieno[2,3-d]pyrimidin-4-one.
What is the SMILES notation for 6-ethyl-2-pyridin-2-yl-3H-thieno[2,3-d]pyrimidin-4-one?
The canonical SMILES for 6-ethyl-2-pyridin-2-yl-3H-thieno[2,3-d]pyrimidin-4-one is CCc1cc2c(=O)[nH]c(-c3ccccn3)nc2s1.
What is the InChIKey of 6-ethyl-2-pyridin-2-yl-3H-thieno[2,3-d]pyrimidin-4-one?
The InChIKey is CREYUURVAPLCCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N3OS/c1-2-8-7-9-12(17)15-11(16-13(9)18-8)10-5-3-4-6-14-10/h3-7H,2H2,1H3,(H,15,16,17).
What are the key properties of 6-ethyl-2-pyridin-2-yl-3H-thieno[2,3-d]pyrimidin-4-one?
6-ethyl-2-pyridin-2-yl-3H-thieno[2,3-d]pyrimidin-4-one has a molecular weight of 257.32 g/mol, XLogP of 2.61, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-2-pyridin-2-yl-3H-thieno[2,3-d]pyrimidin-4-one is sourced from PubChem (CID 852940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).