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

C11H16BrN3O — CID 136957694

IUPAC5-bromo-4-(4-ethylpiperidin-1-yl)-1H-pyrimidin-6-one
SMILESCCC1CCN(c2nc[nH]c(=O)c2Br)CC1
InChIInChI=1S/C11H16BrN3O/c1-2-8-3-5-15(6-4-8)10-9(12)11(16)14-7-13-10/h7-8H,2-6H2,1H3,(H,13,14,16)
InChIKeyUZZAAEMVKGGODG-UHFFFAOYSA-N
MW286.17 g/mol
LogP2.16
Rot. Bonds2

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

5-bromo-4-(4-ethylpiperidin-1-yl)-1H-pyrimidin-6-one (PubChem CID 136957694) has the molecular formula C11H16BrN3O and a molecular weight of 286.17 g/mol. Its IUPAC name is 5-bromo-4-(4-ethylpiperidin-1-yl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-bromo-4-(4-ethylpiperidin-1-yl)-1H-pyrimidin-6-one
PubChem CID136957694
Molecular FormulaC11H16BrN3O
Molecular Weight286.17 g/mol
Exact Mass285.05
IUPAC Name5-bromo-4-(4-ethylpiperidin-1-yl)-1H-pyrimidin-6-one
SMILESCCC1CCN(c2nc[nH]c(=O)c2Br)CC1
InChIInChI=1S/C11H16BrN3O/c1-2-8-3-5-15(6-4-8)10-9(12)11(16)14-7-13-10/h7-8H,2-6H2,1H3,(H,13,14,16)
InChIKeyUZZAAEMVKGGODG-UHFFFAOYSA-N
XLogP2.16
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.17
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-(4-ethylpiperidin-1-yl)-1H-pyrimidin-6-one?
The IUPAC name of 5-bromo-4-(4-ethylpiperidin-1-yl)-1H-pyrimidin-6-one (CID 136957694) is 5-bromo-4-(4-ethylpiperidin-1-yl)-1H-pyrimidin-6-one.
What is the SMILES notation for 5-bromo-4-(4-ethylpiperidin-1-yl)-1H-pyrimidin-6-one?
The canonical SMILES for 5-bromo-4-(4-ethylpiperidin-1-yl)-1H-pyrimidin-6-one is CCC1CCN(c2nc[nH]c(=O)c2Br)CC1.
What is the InChIKey of 5-bromo-4-(4-ethylpiperidin-1-yl)-1H-pyrimidin-6-one?
The InChIKey is UZZAAEMVKGGODG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16BrN3O/c1-2-8-3-5-15(6-4-8)10-9(12)11(16)14-7-13-10/h7-8H,2-6H2,1H3,(H,13,14,16).
What are the key properties of 5-bromo-4-(4-ethylpiperidin-1-yl)-1H-pyrimidin-6-one?
5-bromo-4-(4-ethylpiperidin-1-yl)-1H-pyrimidin-6-one has a molecular weight of 286.17 g/mol, XLogP of 2.16, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-(4-ethylpiperidin-1-yl)-1H-pyrimidin-6-one is sourced from PubChem (CID 136957694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).