6-hydroxy-2-(2-oxo-2-piperidin-1-ylethyl)sulfanyl-3-prop-2-enylpyrimidin-4-one

C14H19N3O3S — CID 135412461

IUPAC6-hydroxy-2-(2-oxo-2-piperidin-1-ylethyl)sulfanyl-3-prop-2-enylpyrimidin-4-one
SMILESC=CCn1c(SCC(=O)N2CCCCC2)nc(O)cc1=O
InChIInChI=1S/C14H19N3O3S/c1-2-6-17-12(19)9-11(18)15-14(17)21-10-13(20)16-7-4-3-5-8-16/h2,9,18H,1,3-8,10H2
InChIKeyUXJSQUHYHWHLOX-UHFFFAOYSA-N
MW309.39 g/mol
LogP1.24
Rot. Bonds5

About 6-hydroxy-2-(2-oxo-2-piperidin-1-ylethyl)sulfanyl-3-prop-2-enylpyrimidin-4-one

6-hydroxy-2-(2-oxo-2-piperidin-1-ylethyl)sulfanyl-3-prop-2-enylpyrimidin-4-one (PubChem CID 135412461) has the molecular formula C14H19N3O3S and a molecular weight of 309.39 g/mol. Its IUPAC name is 6-hydroxy-2-(2-oxo-2-piperidin-1-ylethyl)sulfanyl-3-prop-2-enylpyrimidin-4-one.

Molecular Properties

Compound Name6-hydroxy-2-(2-oxo-2-piperidin-1-ylethyl)sulfanyl-3-prop-2-enylpyrimidin-4-one
PubChem CID135412461
Molecular FormulaC14H19N3O3S
Molecular Weight309.39 g/mol
Exact Mass309.11
IUPAC Name6-hydroxy-2-(2-oxo-2-piperidin-1-ylethyl)sulfanyl-3-prop-2-enylpyrimidin-4-one
SMILESC=CCn1c(SCC(=O)N2CCCCC2)nc(O)cc1=O
InChIInChI=1S/C14H19N3O3S/c1-2-6-17-12(19)9-11(18)15-14(17)21-10-13(20)16-7-4-3-5-8-16/h2,9,18H,1,3-8,10H2
InChIKeyUXJSQUHYHWHLOX-UHFFFAOYSA-N
XLogP1.24
TPSA75.43 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.39
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

6-hydroxy-3,4-dihydro-2H,8H-pyrimido[2,1-b][1,3]thiazin-8-one
CID 135435893
N,N-diethyl-2-{[4-hydroxy-6-oxo-1-(prop-2-en-1-yl)-1,6-dihydropyrimidin-2-yl]sulfanyl}acetamide
CID 135420395
N,N-diethyl-2-((1-ethyl-4-hydroxy-6-oxo-1,6-dihydropyrimidin-2-yl)thio)acetamide
CID 135401674
3-allyl-2-(ethylthio)-6-hydroxy-4(3H)-pyrimidinone
CID 135421752
3-allyl-6-hydroxy-2-(propylthio)-4(3H)-pyrimidinone
CID 135426517
3-allyl-2-(sec-butylthio)-6-hydroxy-4(3H)-pyrimidinone
CID 135458827
1-Ethyl-6-hydroxy-2-(2-oxo-2-piperidin-1-ylethyl)sulfanylpyrimidin-4-one
CID 135512332
2-Butylsulfanyl-6-hydroxy-1-prop-2-enylpyrimidin-4-one
CID 135406754
2-(hexylsulfanyl)-6-hydroxy-1-(prop-2-en-1-yl)pyrimidin-4(1H)-one
CID 135435906
N,N-diethyl-2-[(4-hydroxy-1-methyl-6-oxo-1,6-dihydropyrimidin-2-yl)sulfanyl]acetamide
CID 135501381
2-(6-Amino-4-hydroxypyrimidin-2-ylthio)-1-piperidylethan-1-one
CID 135447409
6-hydroxy-3-methyl-2-{[2-oxo-2-(piperidin-1-yl)ethyl]sulfanyl}pyrimidin-4(3H)-one
CID 135421748

Frequently Asked Questions

What is the IUPAC name of 6-hydroxy-2-(2-oxo-2-piperidin-1-ylethyl)sulfanyl-3-prop-2-enylpyrimidin-4-one?
The IUPAC name of 6-hydroxy-2-(2-oxo-2-piperidin-1-ylethyl)sulfanyl-3-prop-2-enylpyrimidin-4-one (CID 135412461) is 6-hydroxy-2-(2-oxo-2-piperidin-1-ylethyl)sulfanyl-3-prop-2-enylpyrimidin-4-one.
What is the SMILES notation for 6-hydroxy-2-(2-oxo-2-piperidin-1-ylethyl)sulfanyl-3-prop-2-enylpyrimidin-4-one?
The canonical SMILES for 6-hydroxy-2-(2-oxo-2-piperidin-1-ylethyl)sulfanyl-3-prop-2-enylpyrimidin-4-one is C=CCn1c(SCC(=O)N2CCCCC2)nc(O)cc1=O.
What is the InChIKey of 6-hydroxy-2-(2-oxo-2-piperidin-1-ylethyl)sulfanyl-3-prop-2-enylpyrimidin-4-one?
The InChIKey is UXJSQUHYHWHLOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O3S/c1-2-6-17-12(19)9-11(18)15-14(17)21-10-13(20)16-7-4-3-5-8-16/h2,9,18H,1,3-8,10H2.
What are the key properties of 6-hydroxy-2-(2-oxo-2-piperidin-1-ylethyl)sulfanyl-3-prop-2-enylpyrimidin-4-one?
6-hydroxy-2-(2-oxo-2-piperidin-1-ylethyl)sulfanyl-3-prop-2-enylpyrimidin-4-one has a molecular weight of 309.39 g/mol, XLogP of 1.24, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-hydroxy-2-(2-oxo-2-piperidin-1-ylethyl)sulfanyl-3-prop-2-enylpyrimidin-4-one is sourced from PubChem (CID 135412461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).