3-(6-bromo-2H-pyrimidin-1-yl)piperidine-2,6-dione

C9H10BrN3O2 — CID 175460530

IUPAC3-(6-bromo-2H-pyrimidin-1-yl)piperidine-2,6-dione
SMILESO=C1CCC(N2CN=CC=C2Br)C(=O)N1
InChIInChI=1S/C9H10BrN3O2/c10-7-3-4-11-5-13(7)6-1-2-8(14)12-9(6)15/h3-4,6H,1-2,5H2,(H,12,14,15)
InChIKeySZZWYKYZLDFLFL-UHFFFAOYSA-N
MW272.10 g/mol
LogP0.37
Rot. Bonds1

About 3-(6-bromo-2H-pyrimidin-1-yl)piperidine-2,6-dione

3-(6-bromo-2H-pyrimidin-1-yl)piperidine-2,6-dione (PubChem CID 175460530) has the molecular formula C9H10BrN3O2 and a molecular weight of 272.10 g/mol. Its IUPAC name is 3-(6-bromo-2H-pyrimidin-1-yl)piperidine-2,6-dione.

Molecular Properties

Compound Name3-(6-bromo-2H-pyrimidin-1-yl)piperidine-2,6-dione
PubChem CID175460530
Molecular FormulaC9H10BrN3O2
Molecular Weight272.10 g/mol
Exact Mass271.00
IUPAC Name3-(6-bromo-2H-pyrimidin-1-yl)piperidine-2,6-dione
SMILESO=C1CCC(N2CN=CC=C2Br)C(=O)N1
InChIInChI=1S/C9H10BrN3O2/c10-7-3-4-11-5-13(7)6-1-2-8(14)12-9(6)15/h3-4,6H,1-2,5H2,(H,12,14,15)
InChIKeySZZWYKYZLDFLFL-UHFFFAOYSA-N
XLogP0.37
TPSA61.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.10
LogP ≤ 50.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-(4-bromopyrazol-1-yl)piperidine-2,6-dione
CID 135273234
(1S,5R)-3-[(3R)-2,6-dioxopiperidin-3-yl]-3-azabicyclo[3.2.0]heptane-2,4-dione
CID 139075948
(3R)-3-(2,5-dioxopyrrolidin-1-yl)piperidine-2,6-dione
CID 121493318
3-[4-bromo-5-(bromomethyl)-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 168871651
3-(3-methyl-5-oxo-7H-pyrrolo[3,4-b]pyrazin-6-yl)piperidine-2,6-dione
CID 155219572
3-(6-bromo-7-fluoro-4-methyl-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione
CID 171641221
3-(4-bromo-1-oxoisoquinolin-2-yl)piperidine-2,6-dione
CID 175556384
3-(3-bromo-4-methyl-5-oxo-1,2,4-triazol-1-yl)piperidine-2,6-dione
CID 142409714
(3S)-3-(7-bromo-5-fluoro-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione
CID 178078015
3-(4-bromo-6-methylsulfonyl-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione
CID 167342393
3-(4-methylindol-1-yl)piperidine-2,6-dione
CID 167418675
3-(3-methylidene-1H-isoindol-2-yl)piperidine-2,6-dione
CID 165027847

Frequently Asked Questions

What is the IUPAC name of 3-(6-bromo-2H-pyrimidin-1-yl)piperidine-2,6-dione?
The IUPAC name of 3-(6-bromo-2H-pyrimidin-1-yl)piperidine-2,6-dione (CID 175460530) is 3-(6-bromo-2H-pyrimidin-1-yl)piperidine-2,6-dione.
What is the SMILES notation for 3-(6-bromo-2H-pyrimidin-1-yl)piperidine-2,6-dione?
The canonical SMILES for 3-(6-bromo-2H-pyrimidin-1-yl)piperidine-2,6-dione is O=C1CCC(N2CN=CC=C2Br)C(=O)N1.
What is the InChIKey of 3-(6-bromo-2H-pyrimidin-1-yl)piperidine-2,6-dione?
The InChIKey is SZZWYKYZLDFLFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10BrN3O2/c10-7-3-4-11-5-13(7)6-1-2-8(14)12-9(6)15/h3-4,6H,1-2,5H2,(H,12,14,15).
What are the key properties of 3-(6-bromo-2H-pyrimidin-1-yl)piperidine-2,6-dione?
3-(6-bromo-2H-pyrimidin-1-yl)piperidine-2,6-dione has a molecular weight of 272.10 g/mol, XLogP of 0.37, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-bromo-2H-pyrimidin-1-yl)piperidine-2,6-dione is sourced from PubChem (CID 175460530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).