4-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-1,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-one

C13H17N3O3S — CID 7185347

IUPAC4-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-1,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-one
SMILESO=C(CSc1nc(=O)[nH]c2c1CCC2)N1CCOCC1
InChIInChI=1S/C13H17N3O3S/c17-11(16-4-6-19-7-5-16)8-20-12-9-2-1-3-10(9)14-13(18)15-12/h1-8H2,(H,14,15,18)
InChIKeyIXQXOQGIHWQVDW-UHFFFAOYSA-N
MW295.36 g/mol
LogP0.21
Rot. Bonds3

About 4-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-1,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-one

4-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-1,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-one (PubChem CID 7185347) has the molecular formula C13H17N3O3S and a molecular weight of 295.36 g/mol. Its IUPAC name is 4-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-1,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-one.

Molecular Properties

Compound Name4-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-1,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-one
PubChem CID7185347
Molecular FormulaC13H17N3O3S
Molecular Weight295.36 g/mol
Exact Mass295.10
IUPAC Name4-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-1,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-one
SMILESO=C(CSc1nc(=O)[nH]c2c1CCC2)N1CCOCC1
InChIInChI=1S/C13H17N3O3S/c17-11(16-4-6-19-7-5-16)8-20-12-9-2-1-3-10(9)14-13(18)15-12/h1-8H2,(H,14,15,18)
InChIKeyIXQXOQGIHWQVDW-UHFFFAOYSA-N
XLogP0.21
TPSA75.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.36
LogP ≤ 50.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-1,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-one?
The IUPAC name of 4-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-1,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-one (CID 7185347) is 4-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-1,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-one.
What is the SMILES notation for 4-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-1,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-one?
The canonical SMILES for 4-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-1,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-one is O=C(CSc1nc(=O)[nH]c2c1CCC2)N1CCOCC1.
What is the InChIKey of 4-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-1,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-one?
The InChIKey is IXQXOQGIHWQVDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O3S/c17-11(16-4-6-19-7-5-16)8-20-12-9-2-1-3-10(9)14-13(18)15-12/h1-8H2,(H,14,15,18).
What are the key properties of 4-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-1,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-one?
4-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-1,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-one has a molecular weight of 295.36 g/mol, XLogP of 0.21, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-1,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-one is sourced from PubChem (CID 7185347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).