3-ethyl-6-methyl-2-propylsulfanyl-6,7-dihydrothieno[3,2-d]pyrimidin-4-one

C12H18N2OS2 — CID 5095140

IUPAC3-ethyl-6-methyl-2-propylsulfanyl-6,7-dihydrothieno[3,2-d]pyrimidin-4-one
SMILESCCCSc1nc2c(c(=O)n1CC)SC(C)C2
InChIInChI=1S/C12H18N2OS2/c1-4-6-16-12-13-9-7-8(3)17-10(9)11(15)14(12)5-2/h8H,4-7H2,1-3H3
InChIKeyLNFDGQWRNWCWCE-UHFFFAOYSA-N
MW270.42 g/mol
LogP2.80
Rot. Bonds4

About 3-ethyl-6-methyl-2-propylsulfanyl-6,7-dihydrothieno[3,2-d]pyrimidin-4-one

3-ethyl-6-methyl-2-propylsulfanyl-6,7-dihydrothieno[3,2-d]pyrimidin-4-one (PubChem CID 5095140) has the molecular formula C12H18N2OS2 and a molecular weight of 270.42 g/mol. Its IUPAC name is 3-ethyl-6-methyl-2-propylsulfanyl-6,7-dihydrothieno[3,2-d]pyrimidin-4-one.

Molecular Properties

Compound Name3-ethyl-6-methyl-2-propylsulfanyl-6,7-dihydrothieno[3,2-d]pyrimidin-4-one
PubChem CID5095140
Molecular FormulaC12H18N2OS2
Molecular Weight270.42 g/mol
Exact Mass270.09
IUPAC Name3-ethyl-6-methyl-2-propylsulfanyl-6,7-dihydrothieno[3,2-d]pyrimidin-4-one
SMILESCCCSc1nc2c(c(=O)n1CC)SC(C)C2
InChIInChI=1S/C12H18N2OS2/c1-4-6-16-12-13-9-7-8(3)17-10(9)11(15)14(12)5-2/h8H,4-7H2,1-3H3
InChIKeyLNFDGQWRNWCWCE-UHFFFAOYSA-N
XLogP2.80
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.42
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-ethyl-2-{[2-oxo-2-(pyrrolidin-1-yl)ethyl]sulfanyl}-3H,4H,6H,7H-thieno[3,2-d]pyrimidin-4-one
CID 22430825
3-ethyl-6-methyl-2-(methylthio)-6,7-dihydrothieno[3,2-d]pyrimidin-4(3H)-one
CID 3239816
Methyl 2-((3-ethyl-6-methyl-4-oxo-3,4,6,7-tetrahydrothieno[3,2-d]pyrimidin-2-yl)thio)butanoate
CID 3296311
2-Butylsulfanyl-3-ethyl-6-methyl-6,7-dihydrothieno[3,2-d]pyrimidin-4-one
CID 4144446
3-ethyl-6-methyl-2-((2-oxo-2-(piperidin-1-yl)ethyl)thio)-6,7-dihydrothieno[3,2-d]pyrimidin-4(3H)-one
CID 4155265
3,6-dimethyl-2-((2-(4-methylpiperidin-1-yl)-2-oxoethyl)thio)-6,7-dihydrothieno[3,2-d]pyrimidin-4(3H)-one
CID 4166761
3-ethyl-6-methyl-2-((2-oxo-2-(pyrrolidin-1-yl)ethyl)thio)-6,7-dihydrothieno[3,2-d]pyrimidin-4(3H)-one
CID 4319366
3-ethyl-6-methyl-2-((2-(4-methylpiperidin-1-yl)-2-oxoethyl)thio)-6,7-dihydrothieno[3,2-d]pyrimidin-4(3H)-one
CID 4615951
2-((3-(2-Methoxyethyl)-6-methyl-4-oxo-3,4,6,7-tetrahydrothieno[3,2-d]pyrimidin-2-yl)thio)acetamide
CID 4644458
2-((2-(2-ethylpiperidin-1-yl)-2-oxoethyl)thio)-3,6-dimethyl-6,7-dihydrothieno[3,2-d]pyrimidin-4(3H)-one
CID 5156913
2-[2-(Azepan-1-yl)-2-oxoethyl]sulfanyl-3-methyl-6,7-dihydrothieno[3,2-d]pyrimidin-4-one
CID 7475368
2-[2-(Azepan-1-yl)-2-oxoethyl]sulfanyl-3-ethyl-6,7-dihydrothieno[3,2-d]pyrimidin-4-one
CID 7475414

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-6-methyl-2-propylsulfanyl-6,7-dihydrothieno[3,2-d]pyrimidin-4-one?
The IUPAC name of 3-ethyl-6-methyl-2-propylsulfanyl-6,7-dihydrothieno[3,2-d]pyrimidin-4-one (CID 5095140) is 3-ethyl-6-methyl-2-propylsulfanyl-6,7-dihydrothieno[3,2-d]pyrimidin-4-one.
What is the SMILES notation for 3-ethyl-6-methyl-2-propylsulfanyl-6,7-dihydrothieno[3,2-d]pyrimidin-4-one?
The canonical SMILES for 3-ethyl-6-methyl-2-propylsulfanyl-6,7-dihydrothieno[3,2-d]pyrimidin-4-one is CCCSc1nc2c(c(=O)n1CC)SC(C)C2.
What is the InChIKey of 3-ethyl-6-methyl-2-propylsulfanyl-6,7-dihydrothieno[3,2-d]pyrimidin-4-one?
The InChIKey is LNFDGQWRNWCWCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2OS2/c1-4-6-16-12-13-9-7-8(3)17-10(9)11(15)14(12)5-2/h8H,4-7H2,1-3H3.
What are the key properties of 3-ethyl-6-methyl-2-propylsulfanyl-6,7-dihydrothieno[3,2-d]pyrimidin-4-one?
3-ethyl-6-methyl-2-propylsulfanyl-6,7-dihydrothieno[3,2-d]pyrimidin-4-one has a molecular weight of 270.42 g/mol, XLogP of 2.80, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-6-methyl-2-propylsulfanyl-6,7-dihydrothieno[3,2-d]pyrimidin-4-one is sourced from PubChem (CID 5095140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).