6-ethyl-2-(1,2-oxazol-4-ylmethyl)-3H-thieno[2,3-d]pyrimidin-4-one

C12H11N3O2S — CID 71938784

IUPAC6-ethyl-2-(1,2-oxazol-4-ylmethyl)-3H-thieno[2,3-d]pyrimidin-4-one
SMILESCCc1cc2c(=O)[nH]c(Cc3cnoc3)nc2s1
InChIInChI=1S/C12H11N3O2S/c1-2-8-4-9-11(16)14-10(15-12(9)18-8)3-7-5-13-17-6-7/h4-6H,2-3H2,1H3,(H,14,15,16)
InChIKeyCLEMCVGIIRSUQD-UHFFFAOYSA-N
MW261.31 g/mol
LogP2.13
Rot. Bonds3

About 6-ethyl-2-(1,2-oxazol-4-ylmethyl)-3H-thieno[2,3-d]pyrimidin-4-one

6-ethyl-2-(1,2-oxazol-4-ylmethyl)-3H-thieno[2,3-d]pyrimidin-4-one (PubChem CID 71938784) has the molecular formula C12H11N3O2S and a molecular weight of 261.31 g/mol. Its IUPAC name is 6-ethyl-2-(1,2-oxazol-4-ylmethyl)-3H-thieno[2,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name6-ethyl-2-(1,2-oxazol-4-ylmethyl)-3H-thieno[2,3-d]pyrimidin-4-one
PubChem CID71938784
Molecular FormulaC12H11N3O2S
Molecular Weight261.31 g/mol
Exact Mass261.06
IUPAC Name6-ethyl-2-(1,2-oxazol-4-ylmethyl)-3H-thieno[2,3-d]pyrimidin-4-one
SMILESCCc1cc2c(=O)[nH]c(Cc3cnoc3)nc2s1
InChIInChI=1S/C12H11N3O2S/c1-2-8-4-9-11(16)14-10(15-12(9)18-8)3-7-5-13-17-6-7/h4-6H,2-3H2,1H3,(H,14,15,16)
InChIKeyCLEMCVGIIRSUQD-UHFFFAOYSA-N
XLogP2.13
TPSA71.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.31
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 6-ethyl-2-(1,2-oxazol-4-ylmethyl)-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

Related Compounds

2-(2,2-dimethylpropyl)-6-ethyl-3H-thieno[2,3-d]pyrimidin-4-one
CID 165482803
2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]methyl]-6-ethyl-3H-thieno[2,3-d]pyrimidin-4-one
CID 60518768
2-[(1R)-1-chloroethyl]-6-ethyl-3H-thieno[2,3-d]pyrimidin-4-one
CID 93213420
6-ethyl-2-(2-oxo-2-thiophen-2-ylethyl)-3H-thieno[2,3-d]pyrimidin-4-one
CID 47141917
6-ethyl-2-propylsulfanyl-3H-thieno[2,3-d]pyrimidin-4-one
CID 46863185
2-(2,6-difluorophenyl)-6-ethyl-3H-thieno[2,3-d]pyrimidin-4-one
CID 28889445
methyl 6-ethyl-4-oxo-3H-thieno[2,3-d]pyrimidine-2-carboxylate
CID 18516114
ethyl 2-(4-oxo-6-propyl-3H-thieno[2,3-d]pyrimidin-2-yl)acetate
CID 58334016
2-(3-aminopropylsulfanyl)-6-ethyl-3H-thieno[2,3-d]pyrimidin-4-one
CID 82146503
6-ethyl-2-(2-fluorophenyl)-3H-thieno[2,3-d]pyrimidin-4-one
CID 47141970
2-(2-amino-2-ethylbutyl)sulfanyl-6-ethyl-3H-thieno[2,3-d]pyrimidin-4-one
CID 94751732
ethyl 2-benzyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxylate
CID 68663388

Frequently Asked Questions

What is the IUPAC name of 6-ethyl-2-(1,2-oxazol-4-ylmethyl)-3H-thieno[2,3-d]pyrimidin-4-one?
The IUPAC name of 6-ethyl-2-(1,2-oxazol-4-ylmethyl)-3H-thieno[2,3-d]pyrimidin-4-one (CID 71938784) is 6-ethyl-2-(1,2-oxazol-4-ylmethyl)-3H-thieno[2,3-d]pyrimidin-4-one.
What is the SMILES notation for 6-ethyl-2-(1,2-oxazol-4-ylmethyl)-3H-thieno[2,3-d]pyrimidin-4-one?
The canonical SMILES for 6-ethyl-2-(1,2-oxazol-4-ylmethyl)-3H-thieno[2,3-d]pyrimidin-4-one is CCc1cc2c(=O)[nH]c(Cc3cnoc3)nc2s1.
What is the InChIKey of 6-ethyl-2-(1,2-oxazol-4-ylmethyl)-3H-thieno[2,3-d]pyrimidin-4-one?
The InChIKey is CLEMCVGIIRSUQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N3O2S/c1-2-8-4-9-11(16)14-10(15-12(9)18-8)3-7-5-13-17-6-7/h4-6H,2-3H2,1H3,(H,14,15,16).
What are the key properties of 6-ethyl-2-(1,2-oxazol-4-ylmethyl)-3H-thieno[2,3-d]pyrimidin-4-one?
6-ethyl-2-(1,2-oxazol-4-ylmethyl)-3H-thieno[2,3-d]pyrimidin-4-one has a molecular weight of 261.31 g/mol, XLogP of 2.13, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-2-(1,2-oxazol-4-ylmethyl)-3H-thieno[2,3-d]pyrimidin-4-one is sourced from PubChem (CID 71938784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).