3-methyl-2-[(3-methylphenyl)methylsulfanyl]-6,7-dihydrothieno[3,2-d]pyrimidin-4-one

C15H16N2OS2 — CID 7197580

IUPAC3-methyl-2-[(3-methylphenyl)methylsulfanyl]-6,7-dihydrothieno[3,2-d]pyrimidin-4-one
SMILESCc1cccc(CSc2nc3c(c(=O)n2C)SCC3)c1
InChIInChI=1S/C15H16N2OS2/c1-10-4-3-5-11(8-10)9-20-15-16-12-6-7-19-13(12)14(18)17(15)2/h3-5,8H,6-7,9H2,1-2H3
InChIKeyHAVUQSCZIYIUOH-UHFFFAOYSA-N
MW304.44 g/mol
LogP3.03
Rot. Bonds3

About 3-methyl-2-[(3-methylphenyl)methylsulfanyl]-6,7-dihydrothieno[3,2-d]pyrimidin-4-one

3-methyl-2-[(3-methylphenyl)methylsulfanyl]-6,7-dihydrothieno[3,2-d]pyrimidin-4-one (PubChem CID 7197580) has the molecular formula C15H16N2OS2 and a molecular weight of 304.44 g/mol. Its IUPAC name is 3-methyl-2-[(3-methylphenyl)methylsulfanyl]-6,7-dihydrothieno[3,2-d]pyrimidin-4-one.

Molecular Properties

Compound Name3-methyl-2-[(3-methylphenyl)methylsulfanyl]-6,7-dihydrothieno[3,2-d]pyrimidin-4-one
PubChem CID7197580
Molecular FormulaC15H16N2OS2
Molecular Weight304.44 g/mol
Exact Mass304.07
IUPAC Name3-methyl-2-[(3-methylphenyl)methylsulfanyl]-6,7-dihydrothieno[3,2-d]pyrimidin-4-one
SMILESCc1cccc(CSc2nc3c(c(=O)n2C)SCC3)c1
InChIInChI=1S/C15H16N2OS2/c1-10-4-3-5-11(8-10)9-20-15-16-12-6-7-19-13(12)14(18)17(15)2/h3-5,8H,6-7,9H2,1-2H3
InChIKeyHAVUQSCZIYIUOH-UHFFFAOYSA-N
XLogP3.03
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.44
LogP ≤ 53.03
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
2-Benzylsulfanyl-3-ethyl-6,7-dihydrothieno[3,2-d]pyrimidin-4-one
CID 7197604
3-Ethyl-2-[(4-fluorophenyl)methylsulfanyl]-6,7-dihydrothieno[3,2-d]pyrimidin-4-one
CID 7197607
3-Benzyl-2-ethylsulfanyl-6-methyl-6,7-dihydrothieno[3,2-d]pyrimidin-4-one
CID 3245315
2-[(3-methylbenzyl)thio]-3,5,6,7-tetrahydro-4H-cyclopenta[d]pyrimidin-4-one
CID 135412230
1-[2-[(3-Methylphenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]ethanone
CID 5227973
3-Ethyl-2-[(3-fluorophenyl)methylsulfanyl]-6,7-dihydrothieno[3,2-d]pyrimidin-4-one
CID 7197606
2-Benzylthio-3-methyl-pyrimidon(4)
CID 259151
2-(benzylsulfanyl)-3-methyl-6-(trifluoromethyl)-4(3H)-pyrimidinone
CID 1486639
3-Benzyl-6-methyl-2-methylsulfanyl-6,7-dihydrothieno[3,2-d]pyrimidin-4-one
CID 3237667
2-[(3-methylbenzyl)thio]-6-propyl-4(3H)-pyrimidinone
CID 135500862
4(3H)-Pyrimidinone, 6-((3,5-dimethylphenyl)methyl)-5-ethyl-3-(2-propenyl)-2-(2-propenylthio)-
CID 454220

Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-[(3-methylphenyl)methylsulfanyl]-6,7-dihydrothieno[3,2-d]pyrimidin-4-one?
The IUPAC name of 3-methyl-2-[(3-methylphenyl)methylsulfanyl]-6,7-dihydrothieno[3,2-d]pyrimidin-4-one (CID 7197580) is 3-methyl-2-[(3-methylphenyl)methylsulfanyl]-6,7-dihydrothieno[3,2-d]pyrimidin-4-one.
What is the SMILES notation for 3-methyl-2-[(3-methylphenyl)methylsulfanyl]-6,7-dihydrothieno[3,2-d]pyrimidin-4-one?
The canonical SMILES for 3-methyl-2-[(3-methylphenyl)methylsulfanyl]-6,7-dihydrothieno[3,2-d]pyrimidin-4-one is Cc1cccc(CSc2nc3c(c(=O)n2C)SCC3)c1.
What is the InChIKey of 3-methyl-2-[(3-methylphenyl)methylsulfanyl]-6,7-dihydrothieno[3,2-d]pyrimidin-4-one?
The InChIKey is HAVUQSCZIYIUOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2OS2/c1-10-4-3-5-11(8-10)9-20-15-16-12-6-7-19-13(12)14(18)17(15)2/h3-5,8H,6-7,9H2,1-2H3.
What are the key properties of 3-methyl-2-[(3-methylphenyl)methylsulfanyl]-6,7-dihydrothieno[3,2-d]pyrimidin-4-one?
3-methyl-2-[(3-methylphenyl)methylsulfanyl]-6,7-dihydrothieno[3,2-d]pyrimidin-4-one has a molecular weight of 304.44 g/mol, XLogP of 3.03, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-[(3-methylphenyl)methylsulfanyl]-6,7-dihydrothieno[3,2-d]pyrimidin-4-one is sourced from PubChem (CID 7197580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).