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

C17H20N2OS2 — CID 3715456

IUPAC2-ethylsulfanyl-6-methyl-3-(2-phenylethyl)-6,7-dihydrothieno[3,2-d]pyrimidin-4-one
SMILESCCSc1nc2c(c(=O)n1CCc1ccccc1)SC(C)C2
InChIInChI=1S/C17H20N2OS2/c1-3-21-17-18-14-11-12(2)22-15(14)16(20)19(17)10-9-13-7-5-4-6-8-13/h4-8,12H,3,9-11H2,1-2H3
InChIKeyQGUJZVBORFBUSK-UHFFFAOYSA-N
MW332.49 g/mol
LogP3.63
Rot. Bonds5

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

2-ethylsulfanyl-6-methyl-3-(2-phenylethyl)-6,7-dihydrothieno[3,2-d]pyrimidin-4-one (PubChem CID 3715456) has the molecular formula C17H20N2OS2 and a molecular weight of 332.49 g/mol. Its IUPAC name is 2-ethylsulfanyl-6-methyl-3-(2-phenylethyl)-6,7-dihydrothieno[3,2-d]pyrimidin-4-one.

Molecular Properties

Compound Name2-ethylsulfanyl-6-methyl-3-(2-phenylethyl)-6,7-dihydrothieno[3,2-d]pyrimidin-4-one
PubChem CID3715456
Molecular FormulaC17H20N2OS2
Molecular Weight332.49 g/mol
Exact Mass332.10
IUPAC Name2-ethylsulfanyl-6-methyl-3-(2-phenylethyl)-6,7-dihydrothieno[3,2-d]pyrimidin-4-one
SMILESCCSc1nc2c(c(=O)n1CCc1ccccc1)SC(C)C2
InChIInChI=1S/C17H20N2OS2/c1-3-21-17-18-14-11-12(2)22-15(14)16(20)19(17)10-9-13-7-5-4-6-8-13/h4-8,12H,3,9-11H2,1-2H3
InChIKeyQGUJZVBORFBUSK-UHFFFAOYSA-N
XLogP3.63
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.49
LogP ≤ 53.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-ethylsulfanyl-6-methyl-3-(2-phenylethyl)-6,7-dihydrothieno[3,2-d]pyrimidin-4-one?
The IUPAC name of 2-ethylsulfanyl-6-methyl-3-(2-phenylethyl)-6,7-dihydrothieno[3,2-d]pyrimidin-4-one (CID 3715456) is 2-ethylsulfanyl-6-methyl-3-(2-phenylethyl)-6,7-dihydrothieno[3,2-d]pyrimidin-4-one.
What is the SMILES notation for 2-ethylsulfanyl-6-methyl-3-(2-phenylethyl)-6,7-dihydrothieno[3,2-d]pyrimidin-4-one?
The canonical SMILES for 2-ethylsulfanyl-6-methyl-3-(2-phenylethyl)-6,7-dihydrothieno[3,2-d]pyrimidin-4-one is CCSc1nc2c(c(=O)n1CCc1ccccc1)SC(C)C2.
What is the InChIKey of 2-ethylsulfanyl-6-methyl-3-(2-phenylethyl)-6,7-dihydrothieno[3,2-d]pyrimidin-4-one?
The InChIKey is QGUJZVBORFBUSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2OS2/c1-3-21-17-18-14-11-12(2)22-15(14)16(20)19(17)10-9-13-7-5-4-6-8-13/h4-8,12H,3,9-11H2,1-2H3.
What are the key properties of 2-ethylsulfanyl-6-methyl-3-(2-phenylethyl)-6,7-dihydrothieno[3,2-d]pyrimidin-4-one?
2-ethylsulfanyl-6-methyl-3-(2-phenylethyl)-6,7-dihydrothieno[3,2-d]pyrimidin-4-one has a molecular weight of 332.49 g/mol, XLogP of 3.63, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethylsulfanyl-6-methyl-3-(2-phenylethyl)-6,7-dihydrothieno[3,2-d]pyrimidin-4-one is sourced from PubChem (CID 3715456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).