3-(6-oxopyrimidin-1-yl)piperidine-2,6-dione

C9H9N3O3 — CID 138467610

IUPAC3-(6-oxopyrimidin-1-yl)piperidine-2,6-dione
SMILESO=C1CCC(n2cnccc2=O)C(=O)N1
InChIInChI=1S/C9H9N3O3/c13-7-2-1-6(9(15)11-7)12-5-10-4-3-8(12)14/h3-6H,1-2H2,(H,11,13,15)
InChIKeyKKIBXSVBZLWRSM-UHFFFAOYSA-N
MW207.19 g/mol
LogP-0.78
Rot. Bonds1

About 3-(6-oxopyrimidin-1-yl)piperidine-2,6-dione

3-(6-oxopyrimidin-1-yl)piperidine-2,6-dione (PubChem CID 138467610) has the molecular formula C9H9N3O3 and a molecular weight of 207.19 g/mol. Its IUPAC name is 3-(6-oxopyrimidin-1-yl)piperidine-2,6-dione.

Molecular Properties

Compound Name3-(6-oxopyrimidin-1-yl)piperidine-2,6-dione
PubChem CID138467610
Molecular FormulaC9H9N3O3
Molecular Weight207.19 g/mol
Exact Mass207.06
IUPAC Name3-(6-oxopyrimidin-1-yl)piperidine-2,6-dione
SMILESO=C1CCC(n2cnccc2=O)C(=O)N1
InChIInChI=1S/C9H9N3O3/c13-7-2-1-6(9(15)11-7)12-5-10-4-3-8(12)14/h3-6H,1-2H2,(H,11,13,15)
InChIKeyKKIBXSVBZLWRSM-UHFFFAOYSA-N
XLogP-0.78
TPSA81.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.19
LogP ≤ 5-0.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-(4-Fluoro-6-oxopyrimidin-1-yl)piperidine-2,6-dione
CID 155219511
US12441708, Example 29
CID 135279004
3-(2,4-Dimethyl-6-oxopyrimidin-1-yl)piperidine-2,6-dione
CID 134488797
3-(6-Oxo-4-piperazin-1-ylpyrimidin-1-yl)piperidine-2,6-dione
CID 134580135
3-(4-Bromo-2-methyl-6-oxopyrimidin-1-yl)piperidine-2,6-dione
CID 142364678
3-(4-Bromo-6-oxopyrimidin-1-yl)piperidine-2,6-dione
CID 142367462
Methane;3-(6-oxo-4-piperazin-1-ylpyrimidin-1-yl)piperidine-2,6-dione
CID 142367643
3-(4-Iodo-2-methyl-6-oxopyrimidin-1-yl)piperidine-2,6-dione
CID 142385861
3-(4-Bromo-6-methylidenepyrimidin-1-yl)piperidine-2,6-dione
CID 152815826
1-(6-Oxopyrimidin-1-yl)-3-azabicyclo[3.1.1]heptane-2,4-dione
CID 164836691
3-(5-Amino-4-methyl-6-oxopyrimidin-1-yl)piperidine-2,6-dione;ethane
CID 177998536
CID 177998615
CID 177998615

Frequently Asked Questions

What is the IUPAC name of 3-(6-oxopyrimidin-1-yl)piperidine-2,6-dione?
The IUPAC name of 3-(6-oxopyrimidin-1-yl)piperidine-2,6-dione (CID 138467610) is 3-(6-oxopyrimidin-1-yl)piperidine-2,6-dione.
What is the SMILES notation for 3-(6-oxopyrimidin-1-yl)piperidine-2,6-dione?
The canonical SMILES for 3-(6-oxopyrimidin-1-yl)piperidine-2,6-dione is O=C1CCC(n2cnccc2=O)C(=O)N1.
What is the InChIKey of 3-(6-oxopyrimidin-1-yl)piperidine-2,6-dione?
The InChIKey is KKIBXSVBZLWRSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9N3O3/c13-7-2-1-6(9(15)11-7)12-5-10-4-3-8(12)14/h3-6H,1-2H2,(H,11,13,15).
What are the key properties of 3-(6-oxopyrimidin-1-yl)piperidine-2,6-dione?
3-(6-oxopyrimidin-1-yl)piperidine-2,6-dione has a molecular weight of 207.19 g/mol, XLogP of -0.78, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-oxopyrimidin-1-yl)piperidine-2,6-dione is sourced from PubChem (CID 138467610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).