2-[[1-(2-morpholin-4-ylethyl)-2-oxo-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]sulfanyl]-N-phenylacetamide

C21H26N4O3S — CID 7385483

IUPAC2-[[1-(2-morpholin-4-ylethyl)-2-oxo-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]sulfanyl]-N-phenylacetamide
SMILESO=C(CSc1nc(=O)n(CCN2CCOCC2)c2c1CCC2)Nc1ccccc1
InChIInChI=1S/C21H26N4O3S/c26-19(22-16-5-2-1-3-6-16)15-29-20-17-7-4-8-18(17)25(21(27)23-20)10-9-24-11-13-28-14-12-24/h1-3,5-6H,4,7-15H2,(H,22,26)
InChIKeyIZNXLYZPSSDHLN-UHFFFAOYSA-N
MW414.53 g/mol
LogP1.79
Rot. Bonds7

About 2-[[1-(2-morpholin-4-ylethyl)-2-oxo-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]sulfanyl]-N-phenylacetamide

2-[[1-(2-morpholin-4-ylethyl)-2-oxo-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]sulfanyl]-N-phenylacetamide (PubChem CID 7385483) has the molecular formula C21H26N4O3S and a molecular weight of 414.53 g/mol. Its IUPAC name is 2-[[1-(2-morpholin-4-ylethyl)-2-oxo-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]sulfanyl]-N-phenylacetamide.

Molecular Properties

Compound Name2-[[1-(2-morpholin-4-ylethyl)-2-oxo-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]sulfanyl]-N-phenylacetamide
PubChem CID7385483
Molecular FormulaC21H26N4O3S
Molecular Weight414.53 g/mol
Exact Mass414.17
IUPAC Name2-[[1-(2-morpholin-4-ylethyl)-2-oxo-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]sulfanyl]-N-phenylacetamide
SMILESO=C(CSc1nc(=O)n(CCN2CCOCC2)c2c1CCC2)Nc1ccccc1
InChIInChI=1S/C21H26N4O3S/c26-19(22-16-5-2-1-3-6-16)15-29-20-17-7-4-8-18(17)25(21(27)23-20)10-9-24-11-13-28-14-12-24/h1-3,5-6H,4,7-15H2,(H,22,26)
InChIKeyIZNXLYZPSSDHLN-UHFFFAOYSA-N
XLogP1.79
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.53
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[[1-(2-morpholin-4-ylethyl)-2-oxo-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]sulfanyl]-N-phenylacetamide?
The IUPAC name of 2-[[1-(2-morpholin-4-ylethyl)-2-oxo-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]sulfanyl]-N-phenylacetamide (CID 7385483) is 2-[[1-(2-morpholin-4-ylethyl)-2-oxo-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]sulfanyl]-N-phenylacetamide.
What is the SMILES notation for 2-[[1-(2-morpholin-4-ylethyl)-2-oxo-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]sulfanyl]-N-phenylacetamide?
The canonical SMILES for 2-[[1-(2-morpholin-4-ylethyl)-2-oxo-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]sulfanyl]-N-phenylacetamide is O=C(CSc1nc(=O)n(CCN2CCOCC2)c2c1CCC2)Nc1ccccc1.
What is the InChIKey of 2-[[1-(2-morpholin-4-ylethyl)-2-oxo-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]sulfanyl]-N-phenylacetamide?
The InChIKey is IZNXLYZPSSDHLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N4O3S/c26-19(22-16-5-2-1-3-6-16)15-29-20-17-7-4-8-18(17)25(21(27)23-20)10-9-24-11-13-28-14-12-24/h1-3,5-6H,4,7-15H2,(H,22,26).
What are the key properties of 2-[[1-(2-morpholin-4-ylethyl)-2-oxo-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]sulfanyl]-N-phenylacetamide?
2-[[1-(2-morpholin-4-ylethyl)-2-oxo-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]sulfanyl]-N-phenylacetamide has a molecular weight of 414.53 g/mol, XLogP of 1.79, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-(2-morpholin-4-ylethyl)-2-oxo-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]sulfanyl]-N-phenylacetamide is sourced from PubChem (CID 7385483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).