3-(3,4-dimethoxyphenyl)-2-(3-methylbutylsulfanyl)-6,7-dihydrothieno[3,2-d]pyrimidin-4-one

C19H24N2O3S2 — CID 7207905

IUPAC3-(3,4-dimethoxyphenyl)-2-(3-methylbutylsulfanyl)-6,7-dihydrothieno[3,2-d]pyrimidin-4-one
SMILESCOc1ccc(-n2c(SCCC(C)C)nc3c(c2=O)SCC3)cc1OC
InChIInChI=1S/C19H24N2O3S2/c1-12(2)7-9-26-19-20-14-8-10-25-17(14)18(22)21(19)13-5-6-15(23-3)16(11-13)24-4/h5-6,11-12H,7-10H2,1-4H3
InChIKeyPGUCGXAMCOOSDL-UHFFFAOYSA-N
MW392.55 g/mol
LogP4.04
Rot. Bonds7

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

3-(3,4-dimethoxyphenyl)-2-(3-methylbutylsulfanyl)-6,7-dihydrothieno[3,2-d]pyrimidin-4-one (PubChem CID 7207905) has the molecular formula C19H24N2O3S2 and a molecular weight of 392.55 g/mol. Its IUPAC name is 3-(3,4-dimethoxyphenyl)-2-(3-methylbutylsulfanyl)-6,7-dihydrothieno[3,2-d]pyrimidin-4-one.

Molecular Properties

Compound Name3-(3,4-dimethoxyphenyl)-2-(3-methylbutylsulfanyl)-6,7-dihydrothieno[3,2-d]pyrimidin-4-one
PubChem CID7207905
Molecular FormulaC19H24N2O3S2
Molecular Weight392.55 g/mol
Exact Mass392.12
IUPAC Name3-(3,4-dimethoxyphenyl)-2-(3-methylbutylsulfanyl)-6,7-dihydrothieno[3,2-d]pyrimidin-4-one
SMILESCOc1ccc(-n2c(SCCC(C)C)nc3c(c2=O)SCC3)cc1OC
InChIInChI=1S/C19H24N2O3S2/c1-12(2)7-9-26-19-20-14-8-10-25-17(14)18(22)21(19)13-5-6-15(23-3)16(11-13)24-4/h5-6,11-12H,7-10H2,1-4H3
InChIKeyPGUCGXAMCOOSDL-UHFFFAOYSA-N
XLogP4.04
TPSA53.35 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.55
LogP ≤ 54.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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

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Related Compounds

2-benzylsulfanyl-3-(3,4-dimethoxyphenyl)-6,7-dihydrothieno[3,2-d]pyrimidin-4-one
CID 7207908
3-(3,4-dimethoxyphenyl)-2-[(2-methylphenyl)methylsulfanyl]-6,7-dihydrothieno[3,2-d]pyrimidin-4-one
CID 18563287
3-(3,4-dimethoxyphenyl)-2-[(3-methylphenyl)methylsulfanyl]-6,7-dihydrothieno[3,2-d]pyrimidin-4-one
CID 18563290
2-[(2-chloro-6-fluorophenyl)methylsulfanyl]-3-(3,4-dimethoxyphenyl)-6,7-dihydrothieno[3,2-d]pyrimidin-4-one
CID 18563289
2-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]sulfanyl-3-(3,4-dimethoxyphenyl)-6,7-dihydrothieno[3,2-d]pyrimidin-4-one
CID 44894329
3-(4-methoxyphenyl)-2-propan-2-ylsulfanyl-6,7-dihydrothieno[3,2-d]pyrimidin-4-one
CID 3264083
2-ethylsulfanyl-3-(3-methoxyphenyl)-6,7-dihydrothieno[3,2-d]pyrimidin-4-one
CID 7507146
N-(5-chloro-2-methoxyphenyl)-2-[[3-(4-methoxyphenyl)-4-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-2-yl]sulfanyl]acetamide
CID 4115991
2-butylsulfanyl-3-(4-chlorophenyl)-6,7-dihydrothieno[3,2-d]pyrimidin-4-one
CID 2052885
3-(3-methoxyphenyl)-2-methylsulfanyl-6,7-dihydrothieno[3,2-d]pyrimidin-4-one
CID 7507145
2-[[3-(4-methylphenyl)-4-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-2-yl]sulfanyl]acetamide
CID 756739
2-[2-(azepan-1-yl)-2-oxoethyl]sulfanyl-3-(3-methoxyphenyl)-6,7-dihydrothieno[3,2-d]pyrimidin-4-one
CID 18563191

Frequently Asked Questions

What is the IUPAC name of 3-(3,4-dimethoxyphenyl)-2-(3-methylbutylsulfanyl)-6,7-dihydrothieno[3,2-d]pyrimidin-4-one?
The IUPAC name of 3-(3,4-dimethoxyphenyl)-2-(3-methylbutylsulfanyl)-6,7-dihydrothieno[3,2-d]pyrimidin-4-one (CID 7207905) is 3-(3,4-dimethoxyphenyl)-2-(3-methylbutylsulfanyl)-6,7-dihydrothieno[3,2-d]pyrimidin-4-one.
What is the SMILES notation for 3-(3,4-dimethoxyphenyl)-2-(3-methylbutylsulfanyl)-6,7-dihydrothieno[3,2-d]pyrimidin-4-one?
The canonical SMILES for 3-(3,4-dimethoxyphenyl)-2-(3-methylbutylsulfanyl)-6,7-dihydrothieno[3,2-d]pyrimidin-4-one is COc1ccc(-n2c(SCCC(C)C)nc3c(c2=O)SCC3)cc1OC.
What is the InChIKey of 3-(3,4-dimethoxyphenyl)-2-(3-methylbutylsulfanyl)-6,7-dihydrothieno[3,2-d]pyrimidin-4-one?
The InChIKey is PGUCGXAMCOOSDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O3S2/c1-12(2)7-9-26-19-20-14-8-10-25-17(14)18(22)21(19)13-5-6-15(23-3)16(11-13)24-4/h5-6,11-12H,7-10H2,1-4H3.
What are the key properties of 3-(3,4-dimethoxyphenyl)-2-(3-methylbutylsulfanyl)-6,7-dihydrothieno[3,2-d]pyrimidin-4-one?
3-(3,4-dimethoxyphenyl)-2-(3-methylbutylsulfanyl)-6,7-dihydrothieno[3,2-d]pyrimidin-4-one has a molecular weight of 392.55 g/mol, XLogP of 4.04, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-dimethoxyphenyl)-2-(3-methylbutylsulfanyl)-6,7-dihydrothieno[3,2-d]pyrimidin-4-one is sourced from PubChem (CID 7207905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).