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

C15H16N2OS2 — CID 7207797

IUPAC2-methylsulfanyl-3-(2-phenylethyl)-6,7-dihydrothieno[3,2-d]pyrimidin-4-one
SMILESCSc1nc2c(c(=O)n1CCc1ccccc1)SCC2
InChIInChI=1S/C15H16N2OS2/c1-19-15-16-12-8-10-20-13(12)14(18)17(15)9-7-11-5-3-2-4-6-11/h2-6H,7-10H2,1H3
InChIKeyDESGADYOKOQPIG-UHFFFAOYSA-N
MW304.44 g/mol
LogP2.86
Rot. Bonds4

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

2-methylsulfanyl-3-(2-phenylethyl)-6,7-dihydrothieno[3,2-d]pyrimidin-4-one (PubChem CID 7207797) has the molecular formula C15H16N2OS2 and a molecular weight of 304.44 g/mol. Its IUPAC name is 2-methylsulfanyl-3-(2-phenylethyl)-6,7-dihydrothieno[3,2-d]pyrimidin-4-one.

Molecular Properties

Compound Name2-methylsulfanyl-3-(2-phenylethyl)-6,7-dihydrothieno[3,2-d]pyrimidin-4-one
PubChem CID7207797
Molecular FormulaC15H16N2OS2
Molecular Weight304.44 g/mol
Exact Mass304.07
IUPAC Name2-methylsulfanyl-3-(2-phenylethyl)-6,7-dihydrothieno[3,2-d]pyrimidin-4-one
SMILESCSc1nc2c(c(=O)n1CCc1ccccc1)SCC2
InChIInChI=1S/C15H16N2OS2/c1-19-15-16-12-8-10-20-13(12)14(18)17(15)9-7-11-5-3-2-4-6-11/h2-6H,7-10H2,1H3
InChIKeyDESGADYOKOQPIG-UHFFFAOYSA-N
XLogP2.86
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 ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-methylsulfanyl-3-(2-phenylethyl)-6,7-dihydrothieno[3,2-d]pyrimidin-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-methylsulfanyl-3-(2-phenylethyl)-6,7-dihydrothieno[3,2-d]pyrimidin-4-one?
The IUPAC name of 2-methylsulfanyl-3-(2-phenylethyl)-6,7-dihydrothieno[3,2-d]pyrimidin-4-one (CID 7207797) is 2-methylsulfanyl-3-(2-phenylethyl)-6,7-dihydrothieno[3,2-d]pyrimidin-4-one.
What is the SMILES notation for 2-methylsulfanyl-3-(2-phenylethyl)-6,7-dihydrothieno[3,2-d]pyrimidin-4-one?
The canonical SMILES for 2-methylsulfanyl-3-(2-phenylethyl)-6,7-dihydrothieno[3,2-d]pyrimidin-4-one is CSc1nc2c(c(=O)n1CCc1ccccc1)SCC2.
What is the InChIKey of 2-methylsulfanyl-3-(2-phenylethyl)-6,7-dihydrothieno[3,2-d]pyrimidin-4-one?
The InChIKey is DESGADYOKOQPIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2OS2/c1-19-15-16-12-8-10-20-13(12)14(18)17(15)9-7-11-5-3-2-4-6-11/h2-6H,7-10H2,1H3.
What are the key properties of 2-methylsulfanyl-3-(2-phenylethyl)-6,7-dihydrothieno[3,2-d]pyrimidin-4-one?
2-methylsulfanyl-3-(2-phenylethyl)-6,7-dihydrothieno[3,2-d]pyrimidin-4-one has a molecular weight of 304.44 g/mol, XLogP of 2.86, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylsulfanyl-3-(2-phenylethyl)-6,7-dihydrothieno[3,2-d]pyrimidin-4-one is sourced from PubChem (CID 7207797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).