1-(3-morpholin-4-ylpropyl)-4-sulfanylidene-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-one

C14H21N3O2S — CID 44961191

IUPAC1-(3-morpholin-4-ylpropyl)-4-sulfanylidene-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-one
SMILESO=c1[nH]c(=S)c2c(n1CCCN1CCOCC1)CCC2
InChIInChI=1S/C14H21N3O2S/c18-14-15-13(20)11-3-1-4-12(11)17(14)6-2-5-16-7-9-19-10-8-16/h1-10H2,(H,15,18,20)
InChIKeyHAOARHCKRHOBIH-UHFFFAOYSA-N
MW295.41 g/mol
LogP1.12
Rot. Bonds4

About 1-(3-morpholin-4-ylpropyl)-4-sulfanylidene-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-one

1-(3-morpholin-4-ylpropyl)-4-sulfanylidene-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-one (PubChem CID 44961191) has the molecular formula C14H21N3O2S and a molecular weight of 295.41 g/mol. Its IUPAC name is 1-(3-morpholin-4-ylpropyl)-4-sulfanylidene-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-one.

Molecular Properties

Compound Name1-(3-morpholin-4-ylpropyl)-4-sulfanylidene-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-one
PubChem CID44961191
Molecular FormulaC14H21N3O2S
Molecular Weight295.41 g/mol
Exact Mass295.14
IUPAC Name1-(3-morpholin-4-ylpropyl)-4-sulfanylidene-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-one
SMILESO=c1[nH]c(=S)c2c(n1CCCN1CCOCC1)CCC2
InChIInChI=1S/C14H21N3O2S/c18-14-15-13(20)11-3-1-4-12(11)17(14)6-2-5-16-7-9-19-10-8-16/h1-10H2,(H,15,18,20)
InChIKeyHAOARHCKRHOBIH-UHFFFAOYSA-N
XLogP1.12
TPSA50.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.41
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

1-Morpholin-4-yl-4-thioxo-1,3,4,5,6,7-hexahydro-cyclopentapyrimidin-2-one
CID 671961
1-((tetrahydrofuran-2-yl)methyl)-4-thioxo-3,4,6,7-tetrahydro-1H-cyclopenta[d]pyrimidin-2(5H)-one
CID 43843082
1-(2-methoxyethyl)-4-thioxo-3,4,6,7-tetrahydro-1H-cyclopenta[d]pyrimidin-2(5H)-one
CID 44015332
ethyl 2-(2-oxo-4-thioxo-2,3,4,5,6,7-hexahydro-1H-cyclopenta[d]pyrimidin-1-yl)acetate
CID 21817846
1-(3-ethoxypropyl)-4-thioxo-3,4,6,7-tetrahydro-1H-cyclopenta[d]pyrimidin-2(5H)-one
CID 44015333
1-(2-morpholinoethyl)-4-thioxo-3,4,6,7-tetrahydro-1H-cyclopenta[d]pyrimidin-2(5H)-one
CID 44961190
1-(2-hydroxyethyl)-4-thioxo-3,4,6,7-tetrahydro-1H-cyclopenta[d]pyrimidin-2(5H)-one
CID 21817845
1-(2-morpholinoethyl)-4-thioxo-3,4,5,6,7,8-hexahydroquinazolin-2(1H)-one
CID 21817850
1-(3-methoxypropyl)-4-thioxo-1,3,4,5,6,7-hexahydro-2H-cyclopenta[d]pyrimidin-2-one
CID 40805410
1-[[(2S)-oxolan-2-yl]methyl]-4-sulfanylidene-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-one
CID 40805411
1-[[(2R)-oxolan-2-yl]methyl]-4-sulfanylidene-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-one
CID 40805412
1-(3-isopropoxypropyl)-4-thioxo-3,4,6,7-tetrahydro-1H-cyclopenta[d]pyrimidin-2(5H)-one
CID 44015334

Frequently Asked Questions

What is the IUPAC name of 1-(3-morpholin-4-ylpropyl)-4-sulfanylidene-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-one?
The IUPAC name of 1-(3-morpholin-4-ylpropyl)-4-sulfanylidene-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-one (CID 44961191) is 1-(3-morpholin-4-ylpropyl)-4-sulfanylidene-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-one.
What is the SMILES notation for 1-(3-morpholin-4-ylpropyl)-4-sulfanylidene-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-one?
The canonical SMILES for 1-(3-morpholin-4-ylpropyl)-4-sulfanylidene-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-one is O=c1[nH]c(=S)c2c(n1CCCN1CCOCC1)CCC2.
What is the InChIKey of 1-(3-morpholin-4-ylpropyl)-4-sulfanylidene-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-one?
The InChIKey is HAOARHCKRHOBIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O2S/c18-14-15-13(20)11-3-1-4-12(11)17(14)6-2-5-16-7-9-19-10-8-16/h1-10H2,(H,15,18,20).
What are the key properties of 1-(3-morpholin-4-ylpropyl)-4-sulfanylidene-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-one?
1-(3-morpholin-4-ylpropyl)-4-sulfanylidene-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-one has a molecular weight of 295.41 g/mol, XLogP of 1.12, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-morpholin-4-ylpropyl)-4-sulfanylidene-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-one is sourced from PubChem (CID 44961191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).