5-bromo-4-(3-oxopiperidin-1-yl)-1H-pyrimidin-6-one

C9H10BrN3O2 — CID 136973343

IUPAC5-bromo-4-(3-oxopiperidin-1-yl)-1H-pyrimidin-6-one
SMILESO=C1CCCN(c2nc[nH]c(=O)c2Br)C1
InChIInChI=1S/C9H10BrN3O2/c10-7-8(11-5-12-9(7)15)13-3-1-2-6(14)4-13/h5H,1-4H2,(H,11,12,15)
InChIKeyKEAUJZQTGJEUDN-UHFFFAOYSA-N
MW272.10 g/mol
LogP0.70
Rot. Bonds1

About 5-bromo-4-(3-oxopiperidin-1-yl)-1H-pyrimidin-6-one

5-bromo-4-(3-oxopiperidin-1-yl)-1H-pyrimidin-6-one (PubChem CID 136973343) has the molecular formula C9H10BrN3O2 and a molecular weight of 272.10 g/mol. Its IUPAC name is 5-bromo-4-(3-oxopiperidin-1-yl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-bromo-4-(3-oxopiperidin-1-yl)-1H-pyrimidin-6-one
PubChem CID136973343
Molecular FormulaC9H10BrN3O2
Molecular Weight272.10 g/mol
Exact Mass271.00
IUPAC Name5-bromo-4-(3-oxopiperidin-1-yl)-1H-pyrimidin-6-one
SMILESO=C1CCCN(c2nc[nH]c(=O)c2Br)C1
InChIInChI=1S/C9H10BrN3O2/c10-7-8(11-5-12-9(7)15)13-3-1-2-6(14)4-13/h5H,1-4H2,(H,11,12,15)
InChIKeyKEAUJZQTGJEUDN-UHFFFAOYSA-N
XLogP0.70
TPSA66.06 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 ≤ 50.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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)piperidine-4-carboxamide
CID 136957331
5-bromo-4-piperidin-1-yl-1H-pyrimidin-6-one
CID 136957379
1-(5-bromo-6-oxo-1H-pyrimidin-4-yl)-N-methylpiperidine-4-carboxamide
CID 136957496
5-bromo-4-(4-oxopiperidin-1-yl)-1H-pyrimidin-6-one
CID 136973280
4-(4-acetylpiperidin-1-yl)-5-bromo-1H-pyrimidin-6-one
CID 136973299
4-(2-acetylpiperidin-1-yl)-5-bromo-1H-pyrimidin-6-one
CID 136973308
4-(3-oxopiperidin-1-yl)-1H-pyrimidin-6-one
CID 136973337
5-chloro-4-(3-oxopiperidin-1-yl)-1H-pyrimidin-6-one
CID 136973342
5-iodo-4-(3-oxopiperidin-1-yl)-1H-pyrimidin-6-one
CID 136973344
5-amino-4-(3-oxopiperidin-1-yl)-1H-pyrimidin-6-one
CID 136973345

Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-(3-oxopiperidin-1-yl)-1H-pyrimidin-6-one?
The IUPAC name of 5-bromo-4-(3-oxopiperidin-1-yl)-1H-pyrimidin-6-one (CID 136973343) is 5-bromo-4-(3-oxopiperidin-1-yl)-1H-pyrimidin-6-one.
What is the SMILES notation for 5-bromo-4-(3-oxopiperidin-1-yl)-1H-pyrimidin-6-one?
The canonical SMILES for 5-bromo-4-(3-oxopiperidin-1-yl)-1H-pyrimidin-6-one is O=C1CCCN(c2nc[nH]c(=O)c2Br)C1.
What is the InChIKey of 5-bromo-4-(3-oxopiperidin-1-yl)-1H-pyrimidin-6-one?
The InChIKey is KEAUJZQTGJEUDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10BrN3O2/c10-7-8(11-5-12-9(7)15)13-3-1-2-6(14)4-13/h5H,1-4H2,(H,11,12,15).
What are the key properties of 5-bromo-4-(3-oxopiperidin-1-yl)-1H-pyrimidin-6-one?
5-bromo-4-(3-oxopiperidin-1-yl)-1H-pyrimidin-6-one has a molecular weight of 272.10 g/mol, XLogP of 0.70, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-(3-oxopiperidin-1-yl)-1H-pyrimidin-6-one is sourced from PubChem (CID 136973343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).