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

C9H10BrN3O2 — CID 136973280

IUPAC5-bromo-4-(4-oxopiperidin-1-yl)-1H-pyrimidin-6-one
SMILESO=C1CCN(c2nc[nH]c(=O)c2Br)CC1
InChIInChI=1S/C9H10BrN3O2/c10-7-8(11-5-12-9(7)15)13-3-1-6(14)2-4-13/h5H,1-4H2,(H,11,12,15)
InChIKeyHHLSFUZRDGMLJP-UHFFFAOYSA-N
MW272.10 g/mol
LogP0.70
Rot. Bonds1

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

5-bromo-4-(4-oxopiperidin-1-yl)-1H-pyrimidin-6-one (PubChem CID 136973280) has the molecular formula C9H10BrN3O2 and a molecular weight of 272.10 g/mol. Its IUPAC name is 5-bromo-4-(4-oxopiperidin-1-yl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-bromo-4-(4-oxopiperidin-1-yl)-1H-pyrimidin-6-one
PubChem CID136973280
Molecular FormulaC9H10BrN3O2
Molecular Weight272.10 g/mol
Exact Mass271.00
IUPAC Name5-bromo-4-(4-oxopiperidin-1-yl)-1H-pyrimidin-6-one
SMILESO=C1CCN(c2nc[nH]c(=O)c2Br)CC1
InChIInChI=1S/C9H10BrN3O2/c10-7-8(11-5-12-9(7)15)13-3-1-6(14)2-4-13/h5H,1-4H2,(H,11,12,15)
InChIKeyHHLSFUZRDGMLJP-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-piperidin-1-ylethylamino)-1H-pyrimidin-6-one
CID 136956374
5-bromo-4-[(2-oxo-2-piperidin-1-ylethyl)amino]-1H-pyrimidin-6-one
CID 136957097
5-bromo-4-(4-methylpiperidin-1-yl)-1H-pyrimidin-6-one
CID 136957356
5-bromo-4-(3-methylpiperidin-1-yl)-1H-pyrimidin-6-one
CID 136957370
5-bromo-4-piperidin-1-yl-1H-pyrimidin-6-one
CID 136957379
5-bromo-4-(4-methoxypiperidin-1-yl)-1H-pyrimidin-6-one
CID 136957476
5-bromo-4-(2-methylpiperidin-1-yl)-1H-pyrimidin-6-one
CID 136970678
5-bromo-4-(3-bromopiperidin-1-yl)-1H-pyrimidin-6-one
CID 136972004
5-bromo-4-(4-bromopiperidin-1-yl)-1H-pyrimidin-6-one
CID 136972016
4-[4-(5-aminopentyl)piperazin-1-yl]-5-bromo-1H-pyrimidin-6-one
CID 136972674
6-(4-Oxopiperidin-1-yl)-3,4-dihydropyrimidin-4-one
CID 136973274
5-chloro-4-(4-oxopiperidin-1-yl)-1H-pyrimidin-6-one
CID 136973279

Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-(4-oxopiperidin-1-yl)-1H-pyrimidin-6-one?
The IUPAC name of 5-bromo-4-(4-oxopiperidin-1-yl)-1H-pyrimidin-6-one (CID 136973280) is 5-bromo-4-(4-oxopiperidin-1-yl)-1H-pyrimidin-6-one.
What is the SMILES notation for 5-bromo-4-(4-oxopiperidin-1-yl)-1H-pyrimidin-6-one?
The canonical SMILES for 5-bromo-4-(4-oxopiperidin-1-yl)-1H-pyrimidin-6-one is O=C1CCN(c2nc[nH]c(=O)c2Br)CC1.
What is the InChIKey of 5-bromo-4-(4-oxopiperidin-1-yl)-1H-pyrimidin-6-one?
The InChIKey is HHLSFUZRDGMLJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10BrN3O2/c10-7-8(11-5-12-9(7)15)13-3-1-6(14)2-4-13/h5H,1-4H2,(H,11,12,15).
What are the key properties of 5-bromo-4-(4-oxopiperidin-1-yl)-1H-pyrimidin-6-one?
5-bromo-4-(4-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-(4-oxopiperidin-1-yl)-1H-pyrimidin-6-one is sourced from PubChem (CID 136973280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).