3-ethyl-2-propylsulfanylthieno[3,2-d]pyrimidin-4-one

C11H14N2OS2 — CID 3484012

IUPAC3-ethyl-2-propylsulfanylthieno[3,2-d]pyrimidin-4-one
SMILESCCCSc1nc2ccsc2c(=O)n1CC
InChIInChI=1S/C11H14N2OS2/c1-3-6-16-11-12-8-5-7-15-9(8)10(14)13(11)4-2/h5,7H,3-4,6H2,1-2H3
InChIKeyVOIXOROFDRQDIM-UHFFFAOYSA-N
MW254.38 g/mol
LogP2.98
Rot. Bonds4

About 3-ethyl-2-propylsulfanylthieno[3,2-d]pyrimidin-4-one

3-ethyl-2-propylsulfanylthieno[3,2-d]pyrimidin-4-one (PubChem CID 3484012) has the molecular formula C11H14N2OS2 and a molecular weight of 254.38 g/mol. Its IUPAC name is 3-ethyl-2-propylsulfanylthieno[3,2-d]pyrimidin-4-one.

Molecular Properties

Compound Name3-ethyl-2-propylsulfanylthieno[3,2-d]pyrimidin-4-one
PubChem CID3484012
Molecular FormulaC11H14N2OS2
Molecular Weight254.38 g/mol
Exact Mass254.05
IUPAC Name3-ethyl-2-propylsulfanylthieno[3,2-d]pyrimidin-4-one
SMILESCCCSc1nc2ccsc2c(=O)n1CC
InChIInChI=1S/C11H14N2OS2/c1-3-6-16-11-12-8-5-7-15-9(8)10(14)13(11)4-2/h5,7H,3-4,6H2,1-2H3
InChIKeyVOIXOROFDRQDIM-UHFFFAOYSA-N
XLogP2.98
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.38
LogP ≤ 52.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-[2-(3-ethyl-4-oxothieno[3,2-d]pyrimidin-2-yl)sulfanylethyl]pyrrolidine-2,5-dione
CID 38663357
2-[3-(4-chlorophenoxy)propylsulfanyl]-3-ethylthieno[3,2-d]pyrimidin-4-one
CID 55574766
3-ethyl-2-[2-(2-fluorophenoxy)ethylsulfanyl]thieno[3,2-d]pyrimidin-4-one
CID 35200083
2-[2-(2-chlorophenoxy)ethylsulfanyl]-3-ethylthieno[3,2-d]pyrimidin-4-one
CID 35200691
2-(3-ethyl-4-oxothieno[3,2-d]pyrimidin-2-yl)sulfanyl-N-pentan-2-ylacetamide
CID 46567853
3-ethyl-2-[2-(1,1,3-trioxo-1,2-benzothiazol-2-yl)ethylsulfanyl]thieno[3,2-d]pyrimidin-4-one
CID 35206896
3-ethyl-2-[2-(3-methylphenoxy)ethylsulfanyl]thieno[3,2-d]pyrimidin-4-one
CID 35200708
2-[(2,5-dimethylphenyl)methylsulfanyl]-3-ethylthieno[3,2-d]pyrimidin-4-one
CID 46567859
N-cyclopropyl-2-(3-ethyl-4-oxothieno[3,2-d]pyrimidin-2-yl)sulfanylacetamide
CID 35198363
N-(4-acetamidophenyl)-2-(3-ethyl-4-oxothieno[3,2-d]pyrimidin-2-yl)sulfanylacetamide
CID 35198855
2-(3-ethyl-4-oxothieno[3,2-d]pyrimidin-2-yl)sulfanyl-N-phenylacetamide
CID 35198403
2-[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl]sulfanyl-3-ethylthieno[3,2-d]pyrimidin-4-one
CID 46567768

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-2-propylsulfanylthieno[3,2-d]pyrimidin-4-one?
The IUPAC name of 3-ethyl-2-propylsulfanylthieno[3,2-d]pyrimidin-4-one (CID 3484012) is 3-ethyl-2-propylsulfanylthieno[3,2-d]pyrimidin-4-one.
What is the SMILES notation for 3-ethyl-2-propylsulfanylthieno[3,2-d]pyrimidin-4-one?
The canonical SMILES for 3-ethyl-2-propylsulfanylthieno[3,2-d]pyrimidin-4-one is CCCSc1nc2ccsc2c(=O)n1CC.
What is the InChIKey of 3-ethyl-2-propylsulfanylthieno[3,2-d]pyrimidin-4-one?
The InChIKey is VOIXOROFDRQDIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2OS2/c1-3-6-16-11-12-8-5-7-15-9(8)10(14)13(11)4-2/h5,7H,3-4,6H2,1-2H3.
What are the key properties of 3-ethyl-2-propylsulfanylthieno[3,2-d]pyrimidin-4-one?
3-ethyl-2-propylsulfanylthieno[3,2-d]pyrimidin-4-one has a molecular weight of 254.38 g/mol, XLogP of 2.98, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-2-propylsulfanylthieno[3,2-d]pyrimidin-4-one is sourced from PubChem (CID 3484012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).