3-ethyl-6-methyl-2-(2-morpholin-4-ylethylsulfanyl)thieno[2,3-d]pyrimidin-4-one

C15H21N3O2S2 — CID 19615093

IUPAC3-ethyl-6-methyl-2-(2-morpholin-4-ylethylsulfanyl)thieno[2,3-d]pyrimidin-4-one
SMILESCCn1c(SCCN2CCOCC2)nc2sc(C)cc2c1=O
InChIInChI=1S/C15H21N3O2S2/c1-3-18-14(19)12-10-11(2)22-13(12)16-15(18)21-9-6-17-4-7-20-8-5-17/h10H,3-9H2,1-2H3
InChIKeyLPIBVAQPHLVTGS-UHFFFAOYSA-N
MW339.49 g/mol
LogP2.21
Rot. Bonds5

About 3-ethyl-6-methyl-2-(2-morpholin-4-ylethylsulfanyl)thieno[2,3-d]pyrimidin-4-one

3-ethyl-6-methyl-2-(2-morpholin-4-ylethylsulfanyl)thieno[2,3-d]pyrimidin-4-one (PubChem CID 19615093) has the molecular formula C15H21N3O2S2 and a molecular weight of 339.49 g/mol. Its IUPAC name is 3-ethyl-6-methyl-2-(2-morpholin-4-ylethylsulfanyl)thieno[2,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name3-ethyl-6-methyl-2-(2-morpholin-4-ylethylsulfanyl)thieno[2,3-d]pyrimidin-4-one
PubChem CID19615093
Molecular FormulaC15H21N3O2S2
Molecular Weight339.49 g/mol
Exact Mass339.11
IUPAC Name3-ethyl-6-methyl-2-(2-morpholin-4-ylethylsulfanyl)thieno[2,3-d]pyrimidin-4-one
SMILESCCn1c(SCCN2CCOCC2)nc2sc(C)cc2c1=O
InChIInChI=1S/C15H21N3O2S2/c1-3-18-14(19)12-10-11(2)22-13(12)16-15(18)21-9-6-17-4-7-20-8-5-17/h10H,3-9H2,1-2H3
InChIKeyLPIBVAQPHLVTGS-UHFFFAOYSA-N
XLogP2.21
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.49
LogP ≤ 52.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-6-methyl-2-(2-morpholin-4-ylethylsulfanyl)thieno[2,3-d]pyrimidin-4-one?
The IUPAC name of 3-ethyl-6-methyl-2-(2-morpholin-4-ylethylsulfanyl)thieno[2,3-d]pyrimidin-4-one (CID 19615093) is 3-ethyl-6-methyl-2-(2-morpholin-4-ylethylsulfanyl)thieno[2,3-d]pyrimidin-4-one.
What is the SMILES notation for 3-ethyl-6-methyl-2-(2-morpholin-4-ylethylsulfanyl)thieno[2,3-d]pyrimidin-4-one?
The canonical SMILES for 3-ethyl-6-methyl-2-(2-morpholin-4-ylethylsulfanyl)thieno[2,3-d]pyrimidin-4-one is CCn1c(SCCN2CCOCC2)nc2sc(C)cc2c1=O.
What is the InChIKey of 3-ethyl-6-methyl-2-(2-morpholin-4-ylethylsulfanyl)thieno[2,3-d]pyrimidin-4-one?
The InChIKey is LPIBVAQPHLVTGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O2S2/c1-3-18-14(19)12-10-11(2)22-13(12)16-15(18)21-9-6-17-4-7-20-8-5-17/h10H,3-9H2,1-2H3.
What are the key properties of 3-ethyl-6-methyl-2-(2-morpholin-4-ylethylsulfanyl)thieno[2,3-d]pyrimidin-4-one?
3-ethyl-6-methyl-2-(2-morpholin-4-ylethylsulfanyl)thieno[2,3-d]pyrimidin-4-one has a molecular weight of 339.49 g/mol, XLogP of 2.21, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-6-methyl-2-(2-morpholin-4-ylethylsulfanyl)thieno[2,3-d]pyrimidin-4-one is sourced from PubChem (CID 19615093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).