2-methylsulfanyl-3-(2-morpholin-4-yl-2-oxoethyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-one

C14H19N3O3S — CID 7748439

IUPAC2-methylsulfanyl-3-(2-morpholin-4-yl-2-oxoethyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-one
SMILESCSc1nc2c(c(=O)n1CC(=O)N1CCOCC1)CCC2
InChIInChI=1S/C14H19N3O3S/c1-21-14-15-11-4-2-3-10(11)13(19)17(14)9-12(18)16-5-7-20-8-6-16/h2-9H2,1H3
InChIKeyOSZOKSKPHYWLEY-UHFFFAOYSA-N
MW309.39 g/mol
LogP0.31
Rot. Bonds3

About 2-methylsulfanyl-3-(2-morpholin-4-yl-2-oxoethyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-one

2-methylsulfanyl-3-(2-morpholin-4-yl-2-oxoethyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-one (PubChem CID 7748439) has the molecular formula C14H19N3O3S and a molecular weight of 309.39 g/mol. Its IUPAC name is 2-methylsulfanyl-3-(2-morpholin-4-yl-2-oxoethyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-one.

Molecular Properties

Compound Name2-methylsulfanyl-3-(2-morpholin-4-yl-2-oxoethyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-one
PubChem CID7748439
Molecular FormulaC14H19N3O3S
Molecular Weight309.39 g/mol
Exact Mass309.11
IUPAC Name2-methylsulfanyl-3-(2-morpholin-4-yl-2-oxoethyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-one
SMILESCSc1nc2c(c(=O)n1CC(=O)N1CCOCC1)CCC2
InChIInChI=1S/C14H19N3O3S/c1-21-14-15-11-4-2-3-10(11)13(19)17(14)9-12(18)16-5-7-20-8-6-16/h2-9H2,1H3
InChIKeyOSZOKSKPHYWLEY-UHFFFAOYSA-N
XLogP0.31
TPSA64.43 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.39
LogP ≤ 50.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-methylsulfanyl-3-(2-morpholin-4-yl-2-oxoethyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-one with MolForge

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Related Compounds

2-methyl-3-(2-morpholin-4-yl-2-oxoethyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-one
CID 7748096
2-methylsulfanyl-3-(2-oxo-2-pyrrolidin-1-ylethyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-one
CID 7748438
2-methylsulfanyl-3-(2-oxo-2-piperidin-1-ylethyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-one
CID 7748441
N,N-diethyl-2-(2-methylsulfanyl-4-oxo-6,7-dihydro-5H-cyclopenta[d]pyrimidin-3-yl)acetamide
CID 7748443
N-hexyl-3-(4-methyl-2-methylsulfanyl-6-oxo-1H-pyrimidin-5-yl)-N-(2-morpholin-4-ylethyl)propanamide
CID 136119285
2-(2-Morpholin-4-ylethylsulfanyl)-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-one
CID 136684258

Frequently Asked Questions

What is the IUPAC name of 2-methylsulfanyl-3-(2-morpholin-4-yl-2-oxoethyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-one?
The IUPAC name of 2-methylsulfanyl-3-(2-morpholin-4-yl-2-oxoethyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-one (CID 7748439) is 2-methylsulfanyl-3-(2-morpholin-4-yl-2-oxoethyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-one.
What is the SMILES notation for 2-methylsulfanyl-3-(2-morpholin-4-yl-2-oxoethyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-one?
The canonical SMILES for 2-methylsulfanyl-3-(2-morpholin-4-yl-2-oxoethyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-one is CSc1nc2c(c(=O)n1CC(=O)N1CCOCC1)CCC2.
What is the InChIKey of 2-methylsulfanyl-3-(2-morpholin-4-yl-2-oxoethyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-one?
The InChIKey is OSZOKSKPHYWLEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O3S/c1-21-14-15-11-4-2-3-10(11)13(19)17(14)9-12(18)16-5-7-20-8-6-16/h2-9H2,1H3.
What are the key properties of 2-methylsulfanyl-3-(2-morpholin-4-yl-2-oxoethyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-one?
2-methylsulfanyl-3-(2-morpholin-4-yl-2-oxoethyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-one has a molecular weight of 309.39 g/mol, XLogP of 0.31, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylsulfanyl-3-(2-morpholin-4-yl-2-oxoethyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-one is sourced from PubChem (CID 7748439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).