3-(2-methoxyethyl)-6-methyl-2-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-6,7-dihydrothieno[3,2-d]pyrimidin-4-one

C16H23N3O4S2 — CID 3543693

IUPAC3-(2-methoxyethyl)-6-methyl-2-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-6,7-dihydrothieno[3,2-d]pyrimidin-4-one
SMILESCOCCn1c(SCC(=O)N2CCOCC2)nc2c(c1=O)SC(C)C2
InChIInChI=1S/C16H23N3O4S2/c1-11-9-12-14(25-11)15(21)19(5-6-22-2)16(17-12)24-10-13(20)18-3-7-23-8-4-18/h11H,3-10H2,1-2H3
InChIKeyNSMCZBJVNNBBBL-UHFFFAOYSA-N
MW385.51 g/mol
LogP0.88
Rot. Bonds6

About 3-(2-methoxyethyl)-6-methyl-2-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-6,7-dihydrothieno[3,2-d]pyrimidin-4-one

3-(2-methoxyethyl)-6-methyl-2-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-6,7-dihydrothieno[3,2-d]pyrimidin-4-one (PubChem CID 3543693) has the molecular formula C16H23N3O4S2 and a molecular weight of 385.51 g/mol. Its IUPAC name is 3-(2-methoxyethyl)-6-methyl-2-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-6,7-dihydrothieno[3,2-d]pyrimidin-4-one.

Molecular Properties

Compound Name3-(2-methoxyethyl)-6-methyl-2-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-6,7-dihydrothieno[3,2-d]pyrimidin-4-one
PubChem CID3543693
Molecular FormulaC16H23N3O4S2
Molecular Weight385.51 g/mol
Exact Mass385.11
IUPAC Name3-(2-methoxyethyl)-6-methyl-2-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-6,7-dihydrothieno[3,2-d]pyrimidin-4-one
SMILESCOCCn1c(SCC(=O)N2CCOCC2)nc2c(c1=O)SC(C)C2
InChIInChI=1S/C16H23N3O4S2/c1-11-9-12-14(25-11)15(21)19(5-6-22-2)16(17-12)24-10-13(20)18-3-7-23-8-4-18/h11H,3-10H2,1-2H3
InChIKeyNSMCZBJVNNBBBL-UHFFFAOYSA-N
XLogP0.88
TPSA73.66 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.51
LogP ≤ 50.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

3-ethyl-6-methyl-2-((2-oxo-2-(piperidin-1-yl)ethyl)thio)-6,7-dihydrothieno[3,2-d]pyrimidin-4(3H)-one
CID 4155265
2-((3-(2-Methoxyethyl)-6-methyl-4-oxo-3,4,6,7-tetrahydrothieno[3,2-d]pyrimidin-2-yl)thio)acetamide
CID 4644458
3-(2-methoxyethyl)-2-{[2-oxo-2-(pyrrolidin-1-yl)ethyl]sulfanyl}-3H,4H,6H,7H-thieno[3,2-d]pyrimidin-4-one
CID 22430875
3-ethyl-6-methyl-2-((2-morpholino-2-oxoethyl)thio)-6,7-dihydrothieno[3,2-d]pyrimidin-4(3H)-one
CID 3243866
3-(2-methoxyethyl)-6-methyl-2-((2-oxo-2-(piperidin-1-yl)ethyl)thio)-6,7-dihydrothieno[3,2-d]pyrimidin-4(3H)-one
CID 4652613
2-[2-(Azepan-1-yl)-2-oxoethyl]sulfanyl-3-(2-methoxyethyl)-6,7-dihydrothieno[3,2-d]pyrimidin-4-one
CID 7475448
3-(2-methoxyethyl)-2-{[2-oxo-2-(piperidin-1-yl)ethyl]sulfanyl}-3H,4H,6H,7H-thieno[3,2-d]pyrimidin-4-one
CID 22430876
3-(2-methoxyethyl)-2-{[2-(4-methylpiperidin-1-yl)-2-oxoethyl]sulfanyl}-3H,4H,6H,7H-thieno[3,2-d]pyrimidin-4-one
CID 22430878
3,6-dimethyl-2-((2-oxo-2-(piperidin-1-yl)ethyl)thio)-6,7-dihydrothieno[3,2-d]pyrimidin-4(3H)-one
CID 4135554
3,6-Dimethyl-2-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-6,7-dihydrothieno[3,2-d]pyrimidin-4-one
CID 4345180
3-Methyl-2-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-6,7-dihydrothieno[3,2-d]pyrimidin-4-one
CID 7475369
3-(2-methoxyethyl)-2-{[2-(morpholin-4-yl)-2-oxoethyl]sulfanyl}-3H,4H,6H,7H-thieno[3,2-d]pyrimidin-4-one
CID 22430877

Frequently Asked Questions

What is the IUPAC name of 3-(2-methoxyethyl)-6-methyl-2-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-6,7-dihydrothieno[3,2-d]pyrimidin-4-one?
The IUPAC name of 3-(2-methoxyethyl)-6-methyl-2-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-6,7-dihydrothieno[3,2-d]pyrimidin-4-one (CID 3543693) is 3-(2-methoxyethyl)-6-methyl-2-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-6,7-dihydrothieno[3,2-d]pyrimidin-4-one.
What is the SMILES notation for 3-(2-methoxyethyl)-6-methyl-2-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-6,7-dihydrothieno[3,2-d]pyrimidin-4-one?
The canonical SMILES for 3-(2-methoxyethyl)-6-methyl-2-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-6,7-dihydrothieno[3,2-d]pyrimidin-4-one is COCCn1c(SCC(=O)N2CCOCC2)nc2c(c1=O)SC(C)C2.
What is the InChIKey of 3-(2-methoxyethyl)-6-methyl-2-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-6,7-dihydrothieno[3,2-d]pyrimidin-4-one?
The InChIKey is NSMCZBJVNNBBBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O4S2/c1-11-9-12-14(25-11)15(21)19(5-6-22-2)16(17-12)24-10-13(20)18-3-7-23-8-4-18/h11H,3-10H2,1-2H3.
What are the key properties of 3-(2-methoxyethyl)-6-methyl-2-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-6,7-dihydrothieno[3,2-d]pyrimidin-4-one?
3-(2-methoxyethyl)-6-methyl-2-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-6,7-dihydrothieno[3,2-d]pyrimidin-4-one has a molecular weight of 385.51 g/mol, XLogP of 0.88, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methoxyethyl)-6-methyl-2-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-6,7-dihydrothieno[3,2-d]pyrimidin-4-one is sourced from PubChem (CID 3543693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).