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

C11H16BrN3O2 — CID 136957565

IUPAC5-bromo-4-(4-ethoxypiperidin-1-yl)-1H-pyrimidin-6-one
SMILESCCOC1CCN(c2nc[nH]c(=O)c2Br)CC1
InChIInChI=1S/C11H16BrN3O2/c1-2-17-8-3-5-15(6-4-8)10-9(12)11(16)14-7-13-10/h7-8H,2-6H2,1H3,(H,13,14,16)
InChIKeyRGSZFRHDBBNNND-UHFFFAOYSA-N
MW302.17 g/mol
LogP1.54
Rot. Bonds3

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

5-bromo-4-(4-ethoxypiperidin-1-yl)-1H-pyrimidin-6-one (PubChem CID 136957565) has the molecular formula C11H16BrN3O2 and a molecular weight of 302.17 g/mol. Its IUPAC name is 5-bromo-4-(4-ethoxypiperidin-1-yl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-bromo-4-(4-ethoxypiperidin-1-yl)-1H-pyrimidin-6-one
PubChem CID136957565
Molecular FormulaC11H16BrN3O2
Molecular Weight302.17 g/mol
Exact Mass301.04
IUPAC Name5-bromo-4-(4-ethoxypiperidin-1-yl)-1H-pyrimidin-6-one
SMILESCCOC1CCN(c2nc[nH]c(=O)c2Br)CC1
InChIInChI=1S/C11H16BrN3O2/c1-2-17-8-3-5-15(6-4-8)10-9(12)11(16)14-7-13-10/h7-8H,2-6H2,1H3,(H,13,14,16)
InChIKeyRGSZFRHDBBNNND-UHFFFAOYSA-N
XLogP1.54
TPSA58.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.17
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-bromo-4-piperidin-4-yloxy-1H-pyrimidin-6-one
CID 114586283
5-bromo-4-(1-methylpiperidin-4-yl)oxy-1H-pyrimidin-6-one
CID 114676285
5-bromo-4-(3-methoxy-4-methylpiperidin-1-yl)-1H-pyrimidin-6-one
CID 136749176
5-bromo-4-(3-methoxypiperidin-1-yl)-1H-pyrimidin-6-one
CID 136749179
5-bromo-4-[2-(oxan-2-yl)ethylamino]-1H-pyrimidin-6-one
CID 136754598
5-bromo-4-[2-(bromomethyl)-6-methylmorpholin-4-yl]-1H-pyrimidin-6-one
CID 136783262
4-[2-(aminomethyl)-6-methylmorpholin-4-yl]-5-bromo-1H-pyrimidin-6-one
CID 136783265
5-bromo-4-[3-(methoxymethyl)piperidin-1-yl]-1H-pyrimidin-6-one
CID 136821994
5-bromo-4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-1H-pyrimidin-6-one
CID 136825656
4-(4-ethoxypiperidin-1-yl)-5-iodo-1H-pyrimidin-6-one
CID 136954311
5-bromo-4-[(4-methylmorpholin-2-yl)methylamino]-1H-pyrimidin-6-one
CID 136956890
5-bromo-4-(4-hydroxypiperidin-1-yl)-1H-pyrimidin-6-one
CID 136957341

Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-(4-ethoxypiperidin-1-yl)-1H-pyrimidin-6-one?
The IUPAC name of 5-bromo-4-(4-ethoxypiperidin-1-yl)-1H-pyrimidin-6-one (CID 136957565) is 5-bromo-4-(4-ethoxypiperidin-1-yl)-1H-pyrimidin-6-one.
What is the SMILES notation for 5-bromo-4-(4-ethoxypiperidin-1-yl)-1H-pyrimidin-6-one?
The canonical SMILES for 5-bromo-4-(4-ethoxypiperidin-1-yl)-1H-pyrimidin-6-one is CCOC1CCN(c2nc[nH]c(=O)c2Br)CC1.
What is the InChIKey of 5-bromo-4-(4-ethoxypiperidin-1-yl)-1H-pyrimidin-6-one?
The InChIKey is RGSZFRHDBBNNND-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16BrN3O2/c1-2-17-8-3-5-15(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-ethoxypiperidin-1-yl)-1H-pyrimidin-6-one?
5-bromo-4-(4-ethoxypiperidin-1-yl)-1H-pyrimidin-6-one has a molecular weight of 302.17 g/mol, XLogP of 1.54, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-(4-ethoxypiperidin-1-yl)-1H-pyrimidin-6-one is sourced from PubChem (CID 136957565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).