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

C11H14N2OS2 — CID 46863185

IUPAC6-ethyl-2-propylsulfanyl-3H-thieno[2,3-d]pyrimidin-4-one
SMILESCCCSc1nc2sc(CC)cc2c(=O)[nH]1
InChIInChI=1S/C11H14N2OS2/c1-3-5-15-11-12-9(14)8-6-7(4-2)16-10(8)13-11/h6H,3-5H2,1-2H3,(H,12,13,14)
InChIKeyLKYYHLIQIHVFSO-UHFFFAOYSA-N
MW254.38 g/mol
LogP3.05
Rot. Bonds4

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

6-ethyl-2-propylsulfanyl-3H-thieno[2,3-d]pyrimidin-4-one (PubChem CID 46863185) has the molecular formula C11H14N2OS2 and a molecular weight of 254.38 g/mol. Its IUPAC name is 6-ethyl-2-propylsulfanyl-3H-thieno[2,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name6-ethyl-2-propylsulfanyl-3H-thieno[2,3-d]pyrimidin-4-one
PubChem CID46863185
Molecular FormulaC11H14N2OS2
Molecular Weight254.38 g/mol
Exact Mass254.05
IUPAC Name6-ethyl-2-propylsulfanyl-3H-thieno[2,3-d]pyrimidin-4-one
SMILESCCCSc1nc2sc(CC)cc2c(=O)[nH]1
InChIInChI=1S/C11H14N2OS2/c1-3-5-15-11-12-9(14)8-6-7(4-2)16-10(8)13-11/h6H,3-5H2,1-2H3,(H,12,13,14)
InChIKeyLKYYHLIQIHVFSO-UHFFFAOYSA-N
XLogP3.05
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.38
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 6-ethyl-2-propylsulfanyl-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-(3-aminopropylsulfanyl)-6-ethyl-3H-thieno[2,3-d]pyrimidin-4-one
CID 82146503
2-[2-(2-aminoethoxy)ethylsulfanyl]-6-ethyl-3H-thieno[2,3-d]pyrimidin-4-one
CID 82146862
2-(2-amino-2-ethylbutyl)sulfanyl-6-ethyl-3H-thieno[2,3-d]pyrimidin-4-one
CID 94751732
3-[(6-ethyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)sulfanylmethyl]benzoic acid
CID 28895719
2-(3-aminopropylsulfanyl)-6-methyl-3H-thieno[2,3-d]pyrimidin-4-one
CID 82146504
2-[(1R)-1-chloroethyl]-6-ethyl-3H-thieno[2,3-d]pyrimidin-4-one
CID 93213420
2-(2,2-dimethylpropyl)-6-ethyl-3H-thieno[2,3-d]pyrimidin-4-one
CID 165482803
6-amino-2-propylsulfanyl-3H-quinazolin-4-one
CID 136809622
methyl 6-ethyl-4-oxo-3H-thieno[2,3-d]pyrimidine-2-carboxylate
CID 18516114
5-[(6-methyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)sulfanyl]pentanoic acid
CID 82147496
2-(2,6-difluorophenyl)-6-ethyl-3H-thieno[2,3-d]pyrimidin-4-one
CID 28889445
6-ethyl-2-(2-fluorophenyl)-3H-thieno[2,3-d]pyrimidin-4-one
CID 47141970

Frequently Asked Questions

What is the IUPAC name of 6-ethyl-2-propylsulfanyl-3H-thieno[2,3-d]pyrimidin-4-one?
The IUPAC name of 6-ethyl-2-propylsulfanyl-3H-thieno[2,3-d]pyrimidin-4-one (CID 46863185) is 6-ethyl-2-propylsulfanyl-3H-thieno[2,3-d]pyrimidin-4-one.
What is the SMILES notation for 6-ethyl-2-propylsulfanyl-3H-thieno[2,3-d]pyrimidin-4-one?
The canonical SMILES for 6-ethyl-2-propylsulfanyl-3H-thieno[2,3-d]pyrimidin-4-one is CCCSc1nc2sc(CC)cc2c(=O)[nH]1.
What is the InChIKey of 6-ethyl-2-propylsulfanyl-3H-thieno[2,3-d]pyrimidin-4-one?
The InChIKey is LKYYHLIQIHVFSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2OS2/c1-3-5-15-11-12-9(14)8-6-7(4-2)16-10(8)13-11/h6H,3-5H2,1-2H3,(H,12,13,14).
What are the key properties of 6-ethyl-2-propylsulfanyl-3H-thieno[2,3-d]pyrimidin-4-one?
6-ethyl-2-propylsulfanyl-3H-thieno[2,3-d]pyrimidin-4-one has a molecular weight of 254.38 g/mol, XLogP of 3.05, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-2-propylsulfanyl-3H-thieno[2,3-d]pyrimidin-4-one is sourced from PubChem (CID 46863185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).