5-bromo-2-piperidin-1-yl-1H-pyrimidin-6-one

C9H12BrN3O — CID 66314500

IUPAC5-bromo-2-piperidin-1-yl-1H-pyrimidin-6-one
SMILESO=c1[nH]c(N2CCCCC2)ncc1Br
InChIInChI=1S/C9H12BrN3O/c10-7-6-11-9(12-8(7)14)13-4-2-1-3-5-13/h6H,1-5H2,(H,11,12,14)
InChIKeyAVIQTTGXEMEFDF-UHFFFAOYSA-N
MW258.12 g/mol
LogP1.52
Rot. Bonds1

About 5-bromo-2-piperidin-1-yl-1H-pyrimidin-6-one

5-bromo-2-piperidin-1-yl-1H-pyrimidin-6-one (PubChem CID 66314500) has the molecular formula C9H12BrN3O and a molecular weight of 258.12 g/mol. Its IUPAC name is 5-bromo-2-piperidin-1-yl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-bromo-2-piperidin-1-yl-1H-pyrimidin-6-one
PubChem CID66314500
Molecular FormulaC9H12BrN3O
Molecular Weight258.12 g/mol
Exact Mass257.02
IUPAC Name5-bromo-2-piperidin-1-yl-1H-pyrimidin-6-one
SMILESO=c1[nH]c(N2CCCCC2)ncc1Br
InChIInChI=1S/C9H12BrN3O/c10-7-6-11-9(12-8(7)14)13-4-2-1-3-5-13/h6H,1-5H2,(H,11,12,14)
InChIKeyAVIQTTGXEMEFDF-UHFFFAOYSA-N
XLogP1.52
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.12
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-piperidin-1-yl-1H-pyrimidin-6-one?
The IUPAC name of 5-bromo-2-piperidin-1-yl-1H-pyrimidin-6-one (CID 66314500) is 5-bromo-2-piperidin-1-yl-1H-pyrimidin-6-one.
What is the SMILES notation for 5-bromo-2-piperidin-1-yl-1H-pyrimidin-6-one?
The canonical SMILES for 5-bromo-2-piperidin-1-yl-1H-pyrimidin-6-one is O=c1[nH]c(N2CCCCC2)ncc1Br.
What is the InChIKey of 5-bromo-2-piperidin-1-yl-1H-pyrimidin-6-one?
The InChIKey is AVIQTTGXEMEFDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12BrN3O/c10-7-6-11-9(12-8(7)14)13-4-2-1-3-5-13/h6H,1-5H2,(H,11,12,14).
What are the key properties of 5-bromo-2-piperidin-1-yl-1H-pyrimidin-6-one?
5-bromo-2-piperidin-1-yl-1H-pyrimidin-6-one has a molecular weight of 258.12 g/mol, XLogP of 1.52, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-piperidin-1-yl-1H-pyrimidin-6-one is sourced from PubChem (CID 66314500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).