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

C11H16N2O2S2 — CID 4064594

IUPAC3-(2-methoxyethyl)-6-methyl-2-methylsulfanyl-6,7-dihydrothieno[3,2-d]pyrimidin-4-one
SMILESCOCCn1c(SC)nc2c(c1=O)SC(C)C2
InChIInChI=1S/C11H16N2O2S2/c1-7-6-8-9(17-7)10(14)13(4-5-15-2)11(12-8)16-3/h7H,4-6H2,1-3H3
InChIKeyXZKQETSUYCUKQJ-UHFFFAOYSA-N
MW272.39 g/mol
LogP1.65
Rot. Bonds4

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

3-(2-methoxyethyl)-6-methyl-2-methylsulfanyl-6,7-dihydrothieno[3,2-d]pyrimidin-4-one (PubChem CID 4064594) has the molecular formula C11H16N2O2S2 and a molecular weight of 272.39 g/mol. Its IUPAC name is 3-(2-methoxyethyl)-6-methyl-2-methylsulfanyl-6,7-dihydrothieno[3,2-d]pyrimidin-4-one.

Molecular Properties

Compound Name3-(2-methoxyethyl)-6-methyl-2-methylsulfanyl-6,7-dihydrothieno[3,2-d]pyrimidin-4-one
PubChem CID4064594
Molecular FormulaC11H16N2O2S2
Molecular Weight272.39 g/mol
Exact Mass272.07
IUPAC Name3-(2-methoxyethyl)-6-methyl-2-methylsulfanyl-6,7-dihydrothieno[3,2-d]pyrimidin-4-one
SMILESCOCCn1c(SC)nc2c(c1=O)SC(C)C2
InChIInChI=1S/C11H16N2O2S2/c1-7-6-8-9(17-7)10(14)13(4-5-15-2)11(12-8)16-3/h7H,4-6H2,1-3H3
InChIKeyXZKQETSUYCUKQJ-UHFFFAOYSA-N
XLogP1.65
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.39
LogP ≤ 51.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-(2-methoxyethyl)-6-methyl-2-methylsulfanyl-6,7-dihydrothieno[3,2-d]pyrimidin-4-one?
The IUPAC name of 3-(2-methoxyethyl)-6-methyl-2-methylsulfanyl-6,7-dihydrothieno[3,2-d]pyrimidin-4-one (CID 4064594) is 3-(2-methoxyethyl)-6-methyl-2-methylsulfanyl-6,7-dihydrothieno[3,2-d]pyrimidin-4-one.
What is the SMILES notation for 3-(2-methoxyethyl)-6-methyl-2-methylsulfanyl-6,7-dihydrothieno[3,2-d]pyrimidin-4-one?
The canonical SMILES for 3-(2-methoxyethyl)-6-methyl-2-methylsulfanyl-6,7-dihydrothieno[3,2-d]pyrimidin-4-one is COCCn1c(SC)nc2c(c1=O)SC(C)C2.
What is the InChIKey of 3-(2-methoxyethyl)-6-methyl-2-methylsulfanyl-6,7-dihydrothieno[3,2-d]pyrimidin-4-one?
The InChIKey is XZKQETSUYCUKQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O2S2/c1-7-6-8-9(17-7)10(14)13(4-5-15-2)11(12-8)16-3/h7H,4-6H2,1-3H3.
What are the key properties of 3-(2-methoxyethyl)-6-methyl-2-methylsulfanyl-6,7-dihydrothieno[3,2-d]pyrimidin-4-one?
3-(2-methoxyethyl)-6-methyl-2-methylsulfanyl-6,7-dihydrothieno[3,2-d]pyrimidin-4-one has a molecular weight of 272.39 g/mol, XLogP of 1.65, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methoxyethyl)-6-methyl-2-methylsulfanyl-6,7-dihydrothieno[3,2-d]pyrimidin-4-one is sourced from PubChem (CID 4064594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).