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

C13H17N3O2S2 — CID 17414119

IUPAC3-methyl-2-(2-morpholin-4-ylethylsulfanyl)thieno[3,2-d]pyrimidin-4-one
SMILESCn1c(SCCN2CCOCC2)nc2ccsc2c1=O
InChIInChI=1S/C13H17N3O2S2/c1-15-12(17)11-10(2-8-19-11)14-13(15)20-9-5-16-3-6-18-7-4-16/h2,8H,3-7,9H2,1H3
InChIKeyRYDKQZXRGZKOPA-UHFFFAOYSA-N
MW311.43 g/mol
LogP1.42
Rot. Bonds4

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

3-methyl-2-(2-morpholin-4-ylethylsulfanyl)thieno[3,2-d]pyrimidin-4-one (PubChem CID 17414119) has the molecular formula C13H17N3O2S2 and a molecular weight of 311.43 g/mol. Its IUPAC name is 3-methyl-2-(2-morpholin-4-ylethylsulfanyl)thieno[3,2-d]pyrimidin-4-one.

Molecular Properties

Compound Name3-methyl-2-(2-morpholin-4-ylethylsulfanyl)thieno[3,2-d]pyrimidin-4-one
PubChem CID17414119
Molecular FormulaC13H17N3O2S2
Molecular Weight311.43 g/mol
Exact Mass311.08
IUPAC Name3-methyl-2-(2-morpholin-4-ylethylsulfanyl)thieno[3,2-d]pyrimidin-4-one
SMILESCn1c(SCCN2CCOCC2)nc2ccsc2c1=O
InChIInChI=1S/C13H17N3O2S2/c1-15-12(17)11-10(2-8-19-11)14-13(15)20-9-5-16-3-6-18-7-4-16/h2,8H,3-7,9H2,1H3
InChIKeyRYDKQZXRGZKOPA-UHFFFAOYSA-N
XLogP1.42
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.43
LogP ≤ 51.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-(2-morpholin-4-ylethylsulfanyl)thieno[3,2-d]pyrimidin-4-one?
The IUPAC name of 3-methyl-2-(2-morpholin-4-ylethylsulfanyl)thieno[3,2-d]pyrimidin-4-one (CID 17414119) is 3-methyl-2-(2-morpholin-4-ylethylsulfanyl)thieno[3,2-d]pyrimidin-4-one.
What is the SMILES notation for 3-methyl-2-(2-morpholin-4-ylethylsulfanyl)thieno[3,2-d]pyrimidin-4-one?
The canonical SMILES for 3-methyl-2-(2-morpholin-4-ylethylsulfanyl)thieno[3,2-d]pyrimidin-4-one is Cn1c(SCCN2CCOCC2)nc2ccsc2c1=O.
What is the InChIKey of 3-methyl-2-(2-morpholin-4-ylethylsulfanyl)thieno[3,2-d]pyrimidin-4-one?
The InChIKey is RYDKQZXRGZKOPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O2S2/c1-15-12(17)11-10(2-8-19-11)14-13(15)20-9-5-16-3-6-18-7-4-16/h2,8H,3-7,9H2,1H3.
What are the key properties of 3-methyl-2-(2-morpholin-4-ylethylsulfanyl)thieno[3,2-d]pyrimidin-4-one?
3-methyl-2-(2-morpholin-4-ylethylsulfanyl)thieno[3,2-d]pyrimidin-4-one has a molecular weight of 311.43 g/mol, XLogP of 1.42, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-(2-morpholin-4-ylethylsulfanyl)thieno[3,2-d]pyrimidin-4-one is sourced from PubChem (CID 17414119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).