3-(3-methoxyphenyl)-2-(pyridin-3-ylmethylsulfanyl)-6,7-dihydrothieno[3,2-d]pyrimidin-4-one

C19H17N3O2S2 — CID 7162459

IUPAC3-(3-methoxyphenyl)-2-(pyridin-3-ylmethylsulfanyl)-6,7-dihydrothieno[3,2-d]pyrimidin-4-one
SMILESCOc1cccc(-n2c(SCc3cccnc3)nc3c(c2=O)SCC3)c1
InChIInChI=1S/C19H17N3O2S2/c1-24-15-6-2-5-14(10-15)22-18(23)17-16(7-9-25-17)21-19(22)26-12-13-4-3-8-20-11-13/h2-6,8,10-11H,7,9,12H2,1H3
InChIKeyWJVXZTOHPMEVIP-UHFFFAOYSA-N
MW383.50 g/mol
LogP3.58
Rot. Bonds5

About 3-(3-methoxyphenyl)-2-(pyridin-3-ylmethylsulfanyl)-6,7-dihydrothieno[3,2-d]pyrimidin-4-one

3-(3-methoxyphenyl)-2-(pyridin-3-ylmethylsulfanyl)-6,7-dihydrothieno[3,2-d]pyrimidin-4-one (PubChem CID 7162459) has the molecular formula C19H17N3O2S2 and a molecular weight of 383.50 g/mol. Its IUPAC name is 3-(3-methoxyphenyl)-2-(pyridin-3-ylmethylsulfanyl)-6,7-dihydrothieno[3,2-d]pyrimidin-4-one.

Molecular Properties

Compound Name3-(3-methoxyphenyl)-2-(pyridin-3-ylmethylsulfanyl)-6,7-dihydrothieno[3,2-d]pyrimidin-4-one
PubChem CID7162459
Molecular FormulaC19H17N3O2S2
Molecular Weight383.50 g/mol
Exact Mass383.08
IUPAC Name3-(3-methoxyphenyl)-2-(pyridin-3-ylmethylsulfanyl)-6,7-dihydrothieno[3,2-d]pyrimidin-4-one
SMILESCOc1cccc(-n2c(SCc3cccnc3)nc3c(c2=O)SCC3)c1
InChIInChI=1S/C19H17N3O2S2/c1-24-15-6-2-5-14(10-15)22-18(23)17-16(7-9-25-17)21-19(22)26-12-13-4-3-8-20-11-13/h2-6,8,10-11H,7,9,12H2,1H3
InChIKeyWJVXZTOHPMEVIP-UHFFFAOYSA-N
XLogP3.58
TPSA57.01 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.50
LogP ≤ 53.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 3-(3-methoxyphenyl)-2-(pyridin-3-ylmethylsulfanyl)-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 3-(3-methoxyphenyl)-2-(pyridin-3-ylmethylsulfanyl)-6,7-dihydrothieno[3,2-d]pyrimidin-4-one?
The IUPAC name of 3-(3-methoxyphenyl)-2-(pyridin-3-ylmethylsulfanyl)-6,7-dihydrothieno[3,2-d]pyrimidin-4-one (CID 7162459) is 3-(3-methoxyphenyl)-2-(pyridin-3-ylmethylsulfanyl)-6,7-dihydrothieno[3,2-d]pyrimidin-4-one.
What is the SMILES notation for 3-(3-methoxyphenyl)-2-(pyridin-3-ylmethylsulfanyl)-6,7-dihydrothieno[3,2-d]pyrimidin-4-one?
The canonical SMILES for 3-(3-methoxyphenyl)-2-(pyridin-3-ylmethylsulfanyl)-6,7-dihydrothieno[3,2-d]pyrimidin-4-one is COc1cccc(-n2c(SCc3cccnc3)nc3c(c2=O)SCC3)c1.
What is the InChIKey of 3-(3-methoxyphenyl)-2-(pyridin-3-ylmethylsulfanyl)-6,7-dihydrothieno[3,2-d]pyrimidin-4-one?
The InChIKey is WJVXZTOHPMEVIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N3O2S2/c1-24-15-6-2-5-14(10-15)22-18(23)17-16(7-9-25-17)21-19(22)26-12-13-4-3-8-20-11-13/h2-6,8,10-11H,7,9,12H2,1H3.
What are the key properties of 3-(3-methoxyphenyl)-2-(pyridin-3-ylmethylsulfanyl)-6,7-dihydrothieno[3,2-d]pyrimidin-4-one?
3-(3-methoxyphenyl)-2-(pyridin-3-ylmethylsulfanyl)-6,7-dihydrothieno[3,2-d]pyrimidin-4-one has a molecular weight of 383.50 g/mol, XLogP of 3.58, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methoxyphenyl)-2-(pyridin-3-ylmethylsulfanyl)-6,7-dihydrothieno[3,2-d]pyrimidin-4-one is sourced from PubChem (CID 7162459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).