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

C14H14N2OS2 — CID 756741

IUPAC3-(4-methylphenyl)-2-methylsulfanyl-6,7-dihydrothieno[3,2-d]pyrimidin-4-one
SMILESCSc1nc2c(c(=O)n1-c1ccc(C)cc1)SCC2
InChIInChI=1S/C14H14N2OS2/c1-9-3-5-10(6-4-9)16-13(17)12-11(7-8-19-12)15-14(16)18-2/h3-6H,7-8H2,1-2H3
InChIKeyUWXOGQKZSQUOSB-UHFFFAOYSA-N
MW290.41 g/mol
LogP2.91
Rot. Bonds2

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

3-(4-methylphenyl)-2-methylsulfanyl-6,7-dihydrothieno[3,2-d]pyrimidin-4-one (PubChem CID 756741) has the molecular formula C14H14N2OS2 and a molecular weight of 290.41 g/mol. Its IUPAC name is 3-(4-methylphenyl)-2-methylsulfanyl-6,7-dihydrothieno[3,2-d]pyrimidin-4-one.

Molecular Properties

Compound Name3-(4-methylphenyl)-2-methylsulfanyl-6,7-dihydrothieno[3,2-d]pyrimidin-4-one
PubChem CID756741
Molecular FormulaC14H14N2OS2
Molecular Weight290.41 g/mol
Exact Mass290.05
IUPAC Name3-(4-methylphenyl)-2-methylsulfanyl-6,7-dihydrothieno[3,2-d]pyrimidin-4-one
SMILESCSc1nc2c(c(=O)n1-c1ccc(C)cc1)SCC2
InChIInChI=1S/C14H14N2OS2/c1-9-3-5-10(6-4-9)16-13(17)12-11(7-8-19-12)15-14(16)18-2/h3-6H,7-8H2,1-2H3
InChIKeyUWXOGQKZSQUOSB-UHFFFAOYSA-N
XLogP2.91
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(4-methylphenyl)-2-methylsulfanyl-6,7-dihydrothieno[3,2-d]pyrimidin-4-one?
The IUPAC name of 3-(4-methylphenyl)-2-methylsulfanyl-6,7-dihydrothieno[3,2-d]pyrimidin-4-one (CID 756741) is 3-(4-methylphenyl)-2-methylsulfanyl-6,7-dihydrothieno[3,2-d]pyrimidin-4-one.
What is the SMILES notation for 3-(4-methylphenyl)-2-methylsulfanyl-6,7-dihydrothieno[3,2-d]pyrimidin-4-one?
The canonical SMILES for 3-(4-methylphenyl)-2-methylsulfanyl-6,7-dihydrothieno[3,2-d]pyrimidin-4-one is CSc1nc2c(c(=O)n1-c1ccc(C)cc1)SCC2.
What is the InChIKey of 3-(4-methylphenyl)-2-methylsulfanyl-6,7-dihydrothieno[3,2-d]pyrimidin-4-one?
The InChIKey is UWXOGQKZSQUOSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2OS2/c1-9-3-5-10(6-4-9)16-13(17)12-11(7-8-19-12)15-14(16)18-2/h3-6H,7-8H2,1-2H3.
What are the key properties of 3-(4-methylphenyl)-2-methylsulfanyl-6,7-dihydrothieno[3,2-d]pyrimidin-4-one?
3-(4-methylphenyl)-2-methylsulfanyl-6,7-dihydrothieno[3,2-d]pyrimidin-4-one has a molecular weight of 290.41 g/mol, XLogP of 2.91, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methylphenyl)-2-methylsulfanyl-6,7-dihydrothieno[3,2-d]pyrimidin-4-one is sourced from PubChem (CID 756741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).