3-(4-bromo-6-oxopyrimidin-1-yl)piperidine-2,6-dione

C9H8BrN3O3 — CID 142367462

IUPAC3-(4-bromo-6-oxopyrimidin-1-yl)piperidine-2,6-dione
SMILESO=C1CCC(n2cnc(Br)cc2=O)C(=O)N1
InChIInChI=1S/C9H8BrN3O3/c10-6-3-8(15)13(4-11-6)5-1-2-7(14)12-9(5)16/h3-5H,1-2H2,(H,12,14,16)
InChIKeyXSDAXYRRAWAION-UHFFFAOYSA-N
MW286.08 g/mol
LogP-0.02
Rot. Bonds1

About 3-(4-bromo-6-oxopyrimidin-1-yl)piperidine-2,6-dione

3-(4-bromo-6-oxopyrimidin-1-yl)piperidine-2,6-dione (PubChem CID 142367462) has the molecular formula C9H8BrN3O3 and a molecular weight of 286.08 g/mol. Its IUPAC name is 3-(4-bromo-6-oxopyrimidin-1-yl)piperidine-2,6-dione.

Molecular Properties

Compound Name3-(4-bromo-6-oxopyrimidin-1-yl)piperidine-2,6-dione
PubChem CID142367462
Molecular FormulaC9H8BrN3O3
Molecular Weight286.08 g/mol
Exact Mass284.97
IUPAC Name3-(4-bromo-6-oxopyrimidin-1-yl)piperidine-2,6-dione
SMILESO=C1CCC(n2cnc(Br)cc2=O)C(=O)N1
InChIInChI=1S/C9H8BrN3O3/c10-6-3-8(15)13(4-11-6)5-1-2-7(14)12-9(5)16/h3-5H,1-2H2,(H,12,14,16)
InChIKeyXSDAXYRRAWAION-UHFFFAOYSA-N
XLogP-0.02
TPSA81.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.08
LogP ≤ 5-0.02
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-(6-Oxopyrimidin-1-yl)piperidine-2,6-dione
CID 138467610
3-(4-Bromo-2-methyl-6-oxopyrimidin-1-yl)piperidine-2,6-dione
CID 142364678
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
3-(5-Amino-4-methyl-6-oxopyrimidin-1-yl)piperidine-2,6-dione;ethane
CID 177998536
CID 177998615
CID 177998615
3-(5-Amino-4-methyl-6-oxopyrimidin-1-yl)piperidine-2,6-dione;ethane
CID 177998681

Frequently Asked Questions

What is the IUPAC name of 3-(4-bromo-6-oxopyrimidin-1-yl)piperidine-2,6-dione?
The IUPAC name of 3-(4-bromo-6-oxopyrimidin-1-yl)piperidine-2,6-dione (CID 142367462) is 3-(4-bromo-6-oxopyrimidin-1-yl)piperidine-2,6-dione.
What is the SMILES notation for 3-(4-bromo-6-oxopyrimidin-1-yl)piperidine-2,6-dione?
The canonical SMILES for 3-(4-bromo-6-oxopyrimidin-1-yl)piperidine-2,6-dione is O=C1CCC(n2cnc(Br)cc2=O)C(=O)N1.
What is the InChIKey of 3-(4-bromo-6-oxopyrimidin-1-yl)piperidine-2,6-dione?
The InChIKey is XSDAXYRRAWAION-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8BrN3O3/c10-6-3-8(15)13(4-11-6)5-1-2-7(14)12-9(5)16/h3-5H,1-2H2,(H,12,14,16).
What are the key properties of 3-(4-bromo-6-oxopyrimidin-1-yl)piperidine-2,6-dione?
3-(4-bromo-6-oxopyrimidin-1-yl)piperidine-2,6-dione has a molecular weight of 286.08 g/mol, XLogP of -0.02, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-bromo-6-oxopyrimidin-1-yl)piperidine-2,6-dione is sourced from PubChem (CID 142367462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).