3-(2-methoxyethyl)-2-propylsulfanyl-6,7-dihydrothieno[3,2-d]pyrimidin-4-one

C12H18N2O2S2 — CID 7475446

IUPAC3-(2-methoxyethyl)-2-propylsulfanyl-6,7-dihydrothieno[3,2-d]pyrimidin-4-one
SMILESCCCSc1nc2c(c(=O)n1CCOC)SCC2
InChIInChI=1S/C12H18N2O2S2/c1-3-7-18-12-13-9-4-8-17-10(9)11(15)14(12)5-6-16-2/h3-8H2,1-2H3
InChIKeyCGIBCSVZFWJPMN-UHFFFAOYSA-N
MW286.42 g/mol
LogP2.04
Rot. Bonds6

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

3-(2-methoxyethyl)-2-propylsulfanyl-6,7-dihydrothieno[3,2-d]pyrimidin-4-one (PubChem CID 7475446) has the molecular formula C12H18N2O2S2 and a molecular weight of 286.42 g/mol. Its IUPAC name is 3-(2-methoxyethyl)-2-propylsulfanyl-6,7-dihydrothieno[3,2-d]pyrimidin-4-one.

Molecular Properties

Compound Name3-(2-methoxyethyl)-2-propylsulfanyl-6,7-dihydrothieno[3,2-d]pyrimidin-4-one
PubChem CID7475446
Molecular FormulaC12H18N2O2S2
Molecular Weight286.42 g/mol
Exact Mass286.08
IUPAC Name3-(2-methoxyethyl)-2-propylsulfanyl-6,7-dihydrothieno[3,2-d]pyrimidin-4-one
SMILESCCCSc1nc2c(c(=O)n1CCOC)SCC2
InChIInChI=1S/C12H18N2O2S2/c1-3-7-18-12-13-9-4-8-17-10(9)11(15)14(12)5-6-16-2/h3-8H2,1-2H3
InChIKeyCGIBCSVZFWJPMN-UHFFFAOYSA-N
XLogP2.04
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.42
LogP ≤ 52.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

3-(2-methoxyethyl)-2-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]sulfanyl-6,7-dihydrothieno[3,2-d]pyrimidin-4-one
CID 22430878
N-cyclohexyl-2-[[3-(2-methoxyethyl)-4-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-2-yl]sulfanyl]acetamide
CID 22430904
3-(2-methoxyethyl)-2-[(3-methylphenyl)methylsulfanyl]-6,7-dihydrothieno[3,2-d]pyrimidin-4-one
CID 7197631
methyl 2-[(3-methyl-4-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-2-yl)sulfanyl]acetate
CID 7197590
2-butylsulfanyl-3-(4-chlorophenyl)-6,7-dihydrothieno[3,2-d]pyrimidin-4-one
CID 2052885
N-cyclohexyl-2-[(3-ethyl-4-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-2-yl)sulfanyl]acetamide
CID 22430860
3-ethyl-2-[(3-fluorophenyl)methylsulfanyl]-6,7-dihydrothieno[3,2-d]pyrimidin-4-one
CID 7197606
2-[(2,4-dichlorophenyl)methylsulfanyl]-3-ethyl-6,7-dihydrothieno[3,2-d]pyrimidin-4-one
CID 7475441
3-methyl-2-(2-oxo-2-piperidin-1-ylethyl)sulfanyl-6,7-dihydrothieno[3,2-d]pyrimidin-4-one
CID 22430777
2-ethylsulfanyl-3-(3-methoxyphenyl)-6,7-dihydrothieno[3,2-d]pyrimidin-4-one
CID 7507146
3-(3,4-dimethoxyphenyl)-2-(3-methylbutylsulfanyl)-6,7-dihydrothieno[3,2-d]pyrimidin-4-one
CID 7207905
N-(2,5-dimethylphenyl)-2-[(3-ethyl-4-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-2-yl)sulfanyl]acetamide
CID 7475416

Frequently Asked Questions

What is the IUPAC name of 3-(2-methoxyethyl)-2-propylsulfanyl-6,7-dihydrothieno[3,2-d]pyrimidin-4-one?
The IUPAC name of 3-(2-methoxyethyl)-2-propylsulfanyl-6,7-dihydrothieno[3,2-d]pyrimidin-4-one (CID 7475446) is 3-(2-methoxyethyl)-2-propylsulfanyl-6,7-dihydrothieno[3,2-d]pyrimidin-4-one.
What is the SMILES notation for 3-(2-methoxyethyl)-2-propylsulfanyl-6,7-dihydrothieno[3,2-d]pyrimidin-4-one?
The canonical SMILES for 3-(2-methoxyethyl)-2-propylsulfanyl-6,7-dihydrothieno[3,2-d]pyrimidin-4-one is CCCSc1nc2c(c(=O)n1CCOC)SCC2.
What is the InChIKey of 3-(2-methoxyethyl)-2-propylsulfanyl-6,7-dihydrothieno[3,2-d]pyrimidin-4-one?
The InChIKey is CGIBCSVZFWJPMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O2S2/c1-3-7-18-12-13-9-4-8-17-10(9)11(15)14(12)5-6-16-2/h3-8H2,1-2H3.
What are the key properties of 3-(2-methoxyethyl)-2-propylsulfanyl-6,7-dihydrothieno[3,2-d]pyrimidin-4-one?
3-(2-methoxyethyl)-2-propylsulfanyl-6,7-dihydrothieno[3,2-d]pyrimidin-4-one has a molecular weight of 286.42 g/mol, XLogP of 2.04, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methoxyethyl)-2-propylsulfanyl-6,7-dihydrothieno[3,2-d]pyrimidin-4-one is sourced from PubChem (CID 7475446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).