3-[(5-bromo-6-oxo-1H-pyrimidin-4-yl)amino]piperidine-2,6-dione

C9H9BrN4O3 — CID 136976202

IUPAC3-[(5-bromo-6-oxo-1H-pyrimidin-4-yl)amino]piperidine-2,6-dione
SMILESO=C1CCC(Nc2nc[nH]c(=O)c2Br)C(=O)N1
InChIInChI=1S/C9H9BrN4O3/c10-6-7(11-3-12-9(6)17)13-4-1-2-5(15)14-8(4)16/h3-4H,1-2H2,(H,14,15,16)(H2,11,12,13,17)
InChIKeyKSYORWXQIREAHR-UHFFFAOYSA-N
MW301.10 g/mol
LogP-0.25
Rot. Bonds2

About 3-[(5-bromo-6-oxo-1H-pyrimidin-4-yl)amino]piperidine-2,6-dione

3-[(5-bromo-6-oxo-1H-pyrimidin-4-yl)amino]piperidine-2,6-dione (PubChem CID 136976202) has the molecular formula C9H9BrN4O3 and a molecular weight of 301.10 g/mol. Its IUPAC name is 3-[(5-bromo-6-oxo-1H-pyrimidin-4-yl)amino]piperidine-2,6-dione.

Molecular Properties

Compound Name3-[(5-bromo-6-oxo-1H-pyrimidin-4-yl)amino]piperidine-2,6-dione
PubChem CID136976202
Molecular FormulaC9H9BrN4O3
Molecular Weight301.10 g/mol
Exact Mass299.99
IUPAC Name3-[(5-bromo-6-oxo-1H-pyrimidin-4-yl)amino]piperidine-2,6-dione
SMILESO=C1CCC(Nc2nc[nH]c(=O)c2Br)C(=O)N1
InChIInChI=1S/C9H9BrN4O3/c10-6-7(11-3-12-9(6)17)13-4-1-2-5(15)14-8(4)16/h3-4H,1-2H2,(H,14,15,16)(H2,11,12,13,17)
InChIKeyKSYORWXQIREAHR-UHFFFAOYSA-N
XLogP-0.25
TPSA103.95 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.10
LogP ≤ 5-0.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-(4-Bromo-6-oxopyrimidin-1-yl)piperidine-2,6-dione
CID 142367462
2-[4-[(5-bromo-6-oxo-1H-pyrimidin-4-yl)amino]piperidin-1-yl]acetamide
CID 136956223
5-iodo-4-[(2-oxopiperidin-3-yl)amino]-1H-pyrimidin-6-one
CID 136956537
5-bromo-4-[(2-oxopiperidin-3-yl)amino]-1H-pyrimidin-6-one
CID 136956539
4-[(2-oxopiperidin-3-yl)amino]-1H-pyrimidin-6-one
CID 136956540
5-bromo-4-[(6-oxopiperidin-3-yl)amino]-1H-pyrimidin-6-one
CID 136956639
5-bromo-4-[(1-methyl-6-oxopiperidin-3-yl)amino]-1H-pyrimidin-6-one
CID 136956746
5-bromo-4-[(5-oxopyrrolidin-2-yl)methylamino]-1H-pyrimidin-6-one
CID 136956821
5-bromo-4-[(1-oxo-1-piperidin-1-ylpropan-2-yl)amino]-1H-pyrimidin-6-one
CID 136957094
5-bromo-4-[(2-oxo-2-piperidin-1-ylethyl)amino]-1H-pyrimidin-6-one
CID 136957097
1-(5-bromo-6-oxo-1H-pyrimidin-4-yl)pyrrolidine-2-carboxamide
CID 136957435
2-(5-bromo-6-oxo-1H-pyrimidin-4-yl)-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one
CID 136958053

Frequently Asked Questions

What is the IUPAC name of 3-[(5-bromo-6-oxo-1H-pyrimidin-4-yl)amino]piperidine-2,6-dione?
The IUPAC name of 3-[(5-bromo-6-oxo-1H-pyrimidin-4-yl)amino]piperidine-2,6-dione (CID 136976202) is 3-[(5-bromo-6-oxo-1H-pyrimidin-4-yl)amino]piperidine-2,6-dione.
What is the SMILES notation for 3-[(5-bromo-6-oxo-1H-pyrimidin-4-yl)amino]piperidine-2,6-dione?
The canonical SMILES for 3-[(5-bromo-6-oxo-1H-pyrimidin-4-yl)amino]piperidine-2,6-dione is O=C1CCC(Nc2nc[nH]c(=O)c2Br)C(=O)N1.
What is the InChIKey of 3-[(5-bromo-6-oxo-1H-pyrimidin-4-yl)amino]piperidine-2,6-dione?
The InChIKey is KSYORWXQIREAHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9BrN4O3/c10-6-7(11-3-12-9(6)17)13-4-1-2-5(15)14-8(4)16/h3-4H,1-2H2,(H,14,15,16)(H2,11,12,13,17).
What are the key properties of 3-[(5-bromo-6-oxo-1H-pyrimidin-4-yl)amino]piperidine-2,6-dione?
3-[(5-bromo-6-oxo-1H-pyrimidin-4-yl)amino]piperidine-2,6-dione has a molecular weight of 301.10 g/mol, XLogP of -0.25, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-bromo-6-oxo-1H-pyrimidin-4-yl)amino]piperidine-2,6-dione is sourced from PubChem (CID 136976202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).