6-ethyl-2-(2-oxo-2-thiophen-2-ylethyl)-3H-thieno[2,3-d]pyrimidin-4-one

C14H12N2O2S2 — CID 47141917

IUPAC6-ethyl-2-(2-oxo-2-thiophen-2-ylethyl)-3H-thieno[2,3-d]pyrimidin-4-one
SMILESCCc1cc2c(=O)[nH]c(CC(=O)c3cccs3)nc2s1
InChIInChI=1S/C14H12N2O2S2/c1-2-8-6-9-13(18)15-12(16-14(9)20-8)7-10(17)11-4-3-5-19-11/h3-6H,2,7H2,1H3,(H,15,16,18)
InChIKeyZOQCOUHSAHCDRJ-UHFFFAOYSA-N
MW304.40 g/mol
LogP3.03
Rot. Bonds4

About 6-ethyl-2-(2-oxo-2-thiophen-2-ylethyl)-3H-thieno[2,3-d]pyrimidin-4-one

6-ethyl-2-(2-oxo-2-thiophen-2-ylethyl)-3H-thieno[2,3-d]pyrimidin-4-one (PubChem CID 47141917) has the molecular formula C14H12N2O2S2 and a molecular weight of 304.40 g/mol. Its IUPAC name is 6-ethyl-2-(2-oxo-2-thiophen-2-ylethyl)-3H-thieno[2,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name6-ethyl-2-(2-oxo-2-thiophen-2-ylethyl)-3H-thieno[2,3-d]pyrimidin-4-one
PubChem CID47141917
Molecular FormulaC14H12N2O2S2
Molecular Weight304.40 g/mol
Exact Mass304.03
IUPAC Name6-ethyl-2-(2-oxo-2-thiophen-2-ylethyl)-3H-thieno[2,3-d]pyrimidin-4-one
SMILESCCc1cc2c(=O)[nH]c(CC(=O)c3cccs3)nc2s1
InChIInChI=1S/C14H12N2O2S2/c1-2-8-6-9-13(18)15-12(16-14(9)20-8)7-10(17)11-4-3-5-19-11/h3-6H,2,7H2,1H3,(H,15,16,18)
InChIKeyZOQCOUHSAHCDRJ-UHFFFAOYSA-N
XLogP3.03
TPSA62.82 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.40
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 6-ethyl-2-(2-oxo-2-thiophen-2-ylethyl)-3H-thieno[2,3-d]pyrimidin-4-one with MolForge

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Related Compounds

ethyl 2-(4-oxo-6-propyl-3H-thieno[2,3-d]pyrimidin-2-yl)acetate
CID 58334016
methyl 6-ethyl-4-oxo-3H-thieno[2,3-d]pyrimidine-2-carboxylate
CID 18516114
6-ethyl-2-(1,2-oxazol-4-ylmethyl)-3H-thieno[2,3-d]pyrimidin-4-one
CID 71938784
2-[(1R)-1-chloroethyl]-6-ethyl-3H-thieno[2,3-d]pyrimidin-4-one
CID 93213420
2-(2,6-difluorophenyl)-6-ethyl-3H-thieno[2,3-d]pyrimidin-4-one
CID 28889445
(4-oxo-6-propyl-3H-thieno[2,3-d]pyrimidin-2-yl)methyl benzoate
CID 58334379
6-ethyl-2-(2-fluorophenyl)-3H-thieno[2,3-d]pyrimidin-4-one
CID 47141970
methyl 4-(6-ethyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)benzoate
CID 49268432
3-[(6-ethyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)sulfanylmethyl]benzoic acid
CID 28895719
6-ethyl-2-propylsulfanyl-3H-thieno[2,3-d]pyrimidin-4-one
CID 46863185
1-thiophen-2-ylpropan-1-one
CID 26179
2-ethyl-3H-thieno[2,3-d]pyrimidin-4-one;propane
CID 145287057

Frequently Asked Questions

What is the IUPAC name of 6-ethyl-2-(2-oxo-2-thiophen-2-ylethyl)-3H-thieno[2,3-d]pyrimidin-4-one?
The IUPAC name of 6-ethyl-2-(2-oxo-2-thiophen-2-ylethyl)-3H-thieno[2,3-d]pyrimidin-4-one (CID 47141917) is 6-ethyl-2-(2-oxo-2-thiophen-2-ylethyl)-3H-thieno[2,3-d]pyrimidin-4-one.
What is the SMILES notation for 6-ethyl-2-(2-oxo-2-thiophen-2-ylethyl)-3H-thieno[2,3-d]pyrimidin-4-one?
The canonical SMILES for 6-ethyl-2-(2-oxo-2-thiophen-2-ylethyl)-3H-thieno[2,3-d]pyrimidin-4-one is CCc1cc2c(=O)[nH]c(CC(=O)c3cccs3)nc2s1.
What is the InChIKey of 6-ethyl-2-(2-oxo-2-thiophen-2-ylethyl)-3H-thieno[2,3-d]pyrimidin-4-one?
The InChIKey is ZOQCOUHSAHCDRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2O2S2/c1-2-8-6-9-13(18)15-12(16-14(9)20-8)7-10(17)11-4-3-5-19-11/h3-6H,2,7H2,1H3,(H,15,16,18).
What are the key properties of 6-ethyl-2-(2-oxo-2-thiophen-2-ylethyl)-3H-thieno[2,3-d]pyrimidin-4-one?
6-ethyl-2-(2-oxo-2-thiophen-2-ylethyl)-3H-thieno[2,3-d]pyrimidin-4-one has a molecular weight of 304.40 g/mol, XLogP of 3.03, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-2-(2-oxo-2-thiophen-2-ylethyl)-3H-thieno[2,3-d]pyrimidin-4-one is sourced from PubChem (CID 47141917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).