2-(2-morpholin-4-ylethylsulfanyl)-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-one

C13H19N3O2S — CID 136684258

IUPAC2-(2-morpholin-4-ylethylsulfanyl)-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-one
SMILESO=c1[nH]c(SCCN2CCOCC2)nc2c1CCC2
InChIInChI=1S/C13H19N3O2S/c17-12-10-2-1-3-11(10)14-13(15-12)19-9-6-16-4-7-18-8-5-16/h1-9H2,(H,14,15,17)
InChIKeyMCZVYUAFGGYXBI-UHFFFAOYSA-N
MW281.38 g/mol
LogP0.68
Rot. Bonds4

About 2-(2-morpholin-4-ylethylsulfanyl)-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-one

2-(2-morpholin-4-ylethylsulfanyl)-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-one (PubChem CID 136684258) has the molecular formula C13H19N3O2S and a molecular weight of 281.38 g/mol. Its IUPAC name is 2-(2-morpholin-4-ylethylsulfanyl)-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-one.

Molecular Properties

Compound Name2-(2-morpholin-4-ylethylsulfanyl)-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-one
PubChem CID136684258
Molecular FormulaC13H19N3O2S
Molecular Weight281.38 g/mol
Exact Mass281.12
IUPAC Name2-(2-morpholin-4-ylethylsulfanyl)-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-one
SMILESO=c1[nH]c(SCCN2CCOCC2)nc2c1CCC2
InChIInChI=1S/C13H19N3O2S/c17-12-10-2-1-3-11(10)14-13(15-12)19-9-6-16-4-7-18-8-5-16/h1-9H2,(H,14,15,17)
InChIKeyMCZVYUAFGGYXBI-UHFFFAOYSA-N
XLogP0.68
TPSA58.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.38
LogP ≤ 50.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[2-(2,6-dimethyl-4-morpholinyl)-2-oxoethylthio]-5-ethyl-6-methyl-4(3H)-pyrimidinone
CID 135760337
2-((4-Hydroxy-5,6,7,8-tetrahydroquinazolin-2-yl)thio)-1-morpholinoethanone
CID 135657716
2-{[2-(2-ethylpiperidin-1-yl)-2-oxoethyl]sulfanyl}-3H,4H,5H,6H,7H-cyclopenta[d]pyrimidin-4-one
CID 135680937
N,N-Diethyl-2-({4-oxo-3H,4H,5H,6H,7H-cyclopenta[D]pyrimidin-2-YL}sulfanyl)acetamide
CID 135617845
4,5-diethyl-2-(2-morpholinoethylsulfanyl)-1H-pyrimidin-6-one
CID 137222001
2-[3,3-Diamino-2-(diethylamino)prop-2-enyl]sulfanyl-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-one
CID 172593124
2-methylsulfanyl-3-(2-morpholin-4-yl-2-oxoethyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-one
CID 7748439
12-[2-(Morpholin-4-yl)-2-oxoethyl]-10-thia-1,8-diazatricyclo[7.3.0.0^{3,7}]dodeca-3(7),8-dien-2-one
CID 45512206
(12R)-12-(2-morpholin-4-yl-2-oxoethyl)-10-thia-1,8-diazatricyclo[7.3.0.03,7]dodeca-3(7),8-dien-2-one
CID 93487502
(12S)-12-(2-morpholin-4-yl-2-oxoethyl)-10-thia-1,8-diazatricyclo[7.3.0.03,7]dodeca-3(7),8-dien-2-one
CID 93487504
5-ethyl-4-methyl-2-(2-morpholin-4-ylethylsulfanyl)-1H-pyrimidin-6-one
CID 135524380
5-ethyl-4-methyl-2-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-1H-pyrimidin-6-one
CID 135561908

Frequently Asked Questions

What is the IUPAC name of 2-(2-morpholin-4-ylethylsulfanyl)-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-one?
The IUPAC name of 2-(2-morpholin-4-ylethylsulfanyl)-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-one (CID 136684258) is 2-(2-morpholin-4-ylethylsulfanyl)-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-one.
What is the SMILES notation for 2-(2-morpholin-4-ylethylsulfanyl)-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-one?
The canonical SMILES for 2-(2-morpholin-4-ylethylsulfanyl)-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-one is O=c1[nH]c(SCCN2CCOCC2)nc2c1CCC2.
What is the InChIKey of 2-(2-morpholin-4-ylethylsulfanyl)-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-one?
The InChIKey is MCZVYUAFGGYXBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O2S/c17-12-10-2-1-3-11(10)14-13(15-12)19-9-6-16-4-7-18-8-5-16/h1-9H2,(H,14,15,17).
What are the key properties of 2-(2-morpholin-4-ylethylsulfanyl)-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-one?
2-(2-morpholin-4-ylethylsulfanyl)-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-one has a molecular weight of 281.38 g/mol, XLogP of 0.68, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-morpholin-4-ylethylsulfanyl)-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-one is sourced from PubChem (CID 136684258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).