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

C15H16N2OS2 — CID 7197604

IUPAC2-benzylsulfanyl-3-ethyl-6,7-dihydrothieno[3,2-d]pyrimidin-4-one
SMILESCCn1c(SCc2ccccc2)nc2c(c1=O)SCC2
InChIInChI=1S/C15H16N2OS2/c1-2-17-14(18)13-12(8-9-19-13)16-15(17)20-10-11-6-4-3-5-7-11/h3-7H,2,8-10H2,1H3
InChIKeyNOUSDWVKIBIRRM-UHFFFAOYSA-N
MW304.44 g/mol
LogP3.20
Rot. Bonds4

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

2-benzylsulfanyl-3-ethyl-6,7-dihydrothieno[3,2-d]pyrimidin-4-one (PubChem CID 7197604) has the molecular formula C15H16N2OS2 and a molecular weight of 304.44 g/mol. Its IUPAC name is 2-benzylsulfanyl-3-ethyl-6,7-dihydrothieno[3,2-d]pyrimidin-4-one.

Molecular Properties

Compound Name2-benzylsulfanyl-3-ethyl-6,7-dihydrothieno[3,2-d]pyrimidin-4-one
PubChem CID7197604
Molecular FormulaC15H16N2OS2
Molecular Weight304.44 g/mol
Exact Mass304.07
IUPAC Name2-benzylsulfanyl-3-ethyl-6,7-dihydrothieno[3,2-d]pyrimidin-4-one
SMILESCCn1c(SCc2ccccc2)nc2c(c1=O)SCC2
InChIInChI=1S/C15H16N2OS2/c1-2-17-14(18)13-12(8-9-19-13)16-15(17)20-10-11-6-4-3-5-7-11/h3-7H,2,8-10H2,1H3
InChIKeyNOUSDWVKIBIRRM-UHFFFAOYSA-N
XLogP3.20
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.44
LogP ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(4-Bromophenyl)methylsulfanyl]-3-methyl-6,7-dihydrothieno[3,2-d]pyrimidin-4-one
CID 7197569
3-Methyl-2-[(3-methylphenyl)methylsulfanyl]-6,7-dihydrothieno[3,2-d]pyrimidin-4-one
CID 7197580
3-Ethyl-2-[(4-fluorophenyl)methylsulfanyl]-6,7-dihydrothieno[3,2-d]pyrimidin-4-one
CID 7197607
N,N-diethyl-2-[(4-oxo-6-phenyl-1H-pyrimidin-2-yl)sulfanyl]acetamide
CID 135405931
3-Benzyl-2-ethylsulfanyl-6-methyl-6,7-dihydrothieno[3,2-d]pyrimidin-4-one
CID 3245315
3-Ethyl-6-methyl-2-phenacylsulfanyl-6,7-dihydrothieno[3,2-d]pyrimidin-4-one
CID 3245688
N-benzyl-2-[(3-benzyl-6-methyl-4-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-2-yl)sulfanyl]acetamide
CID 3311767
1-(2-Benzylsulfanyl-4,5-dihydroimidazol-1-yl)propan-1-one
CID 3609825
2-((3-ethyl-6-methyl-4-oxo-3,4,6,7-tetrahydrothieno[3,2-d]pyrimidin-2-yl)thio)-N-(4-fluorobenzyl)acetamide
CID 4061072
2-((3-ethyl-6-methyl-4-oxo-3,4,6,7-tetrahydrothieno[3,2-d]pyrimidin-2-yl)thio)-N-phenethylacetamide
CID 4414779
1-allyl-2-(benzylthio)-6-hydroxy-4(1H)-pyrimidinone
CID 135401648
1-[2-[(3-Methylphenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]ethanone
CID 5227973

Frequently Asked Questions

What is the IUPAC name of 2-benzylsulfanyl-3-ethyl-6,7-dihydrothieno[3,2-d]pyrimidin-4-one?
The IUPAC name of 2-benzylsulfanyl-3-ethyl-6,7-dihydrothieno[3,2-d]pyrimidin-4-one (CID 7197604) is 2-benzylsulfanyl-3-ethyl-6,7-dihydrothieno[3,2-d]pyrimidin-4-one.
What is the SMILES notation for 2-benzylsulfanyl-3-ethyl-6,7-dihydrothieno[3,2-d]pyrimidin-4-one?
The canonical SMILES for 2-benzylsulfanyl-3-ethyl-6,7-dihydrothieno[3,2-d]pyrimidin-4-one is CCn1c(SCc2ccccc2)nc2c(c1=O)SCC2.
What is the InChIKey of 2-benzylsulfanyl-3-ethyl-6,7-dihydrothieno[3,2-d]pyrimidin-4-one?
The InChIKey is NOUSDWVKIBIRRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2OS2/c1-2-17-14(18)13-12(8-9-19-13)16-15(17)20-10-11-6-4-3-5-7-11/h3-7H,2,8-10H2,1H3.
What are the key properties of 2-benzylsulfanyl-3-ethyl-6,7-dihydrothieno[3,2-d]pyrimidin-4-one?
2-benzylsulfanyl-3-ethyl-6,7-dihydrothieno[3,2-d]pyrimidin-4-one has a molecular weight of 304.44 g/mol, XLogP of 3.20, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzylsulfanyl-3-ethyl-6,7-dihydrothieno[3,2-d]pyrimidin-4-one is sourced from PubChem (CID 7197604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).