5-bromo-4-(2-piperidin-3-ylethoxy)-1H-pyrimidin-6-one

C11H16BrN3O2 — CID 114586438

IUPAC5-bromo-4-(2-piperidin-3-ylethoxy)-1H-pyrimidin-6-one
SMILESO=c1[nH]cnc(OCCC2CCCNC2)c1Br
InChIInChI=1S/C11H16BrN3O2/c12-9-10(16)14-7-15-11(9)17-5-3-8-2-1-4-13-6-8/h7-8,13H,1-6H2,(H,14,15,16)
InChIKeyHXEPHXZWMZPIKD-UHFFFAOYSA-N
MW302.17 g/mol
LogP1.30
Rot. Bonds4

About 5-bromo-4-(2-piperidin-3-ylethoxy)-1H-pyrimidin-6-one

5-bromo-4-(2-piperidin-3-ylethoxy)-1H-pyrimidin-6-one (PubChem CID 114586438) has the molecular formula C11H16BrN3O2 and a molecular weight of 302.17 g/mol. Its IUPAC name is 5-bromo-4-(2-piperidin-3-ylethoxy)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-bromo-4-(2-piperidin-3-ylethoxy)-1H-pyrimidin-6-one
PubChem CID114586438
Molecular FormulaC11H16BrN3O2
Molecular Weight302.17 g/mol
Exact Mass301.04
IUPAC Name5-bromo-4-(2-piperidin-3-ylethoxy)-1H-pyrimidin-6-one
SMILESO=c1[nH]cnc(OCCC2CCCNC2)c1Br
InChIInChI=1S/C11H16BrN3O2/c12-9-10(16)14-7-15-11(9)17-5-3-8-2-1-4-13-6-8/h7-8,13H,1-6H2,(H,14,15,16)
InChIKeyHXEPHXZWMZPIKD-UHFFFAOYSA-N
XLogP1.30
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.17
LogP ≤ 51.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-bromo-4-(4-methylpiperidin-3-yl)oxy-1H-pyrimidin-6-one
CID 102954732
4-[2-(aminomethyl)cyclohexyl]oxy-5-bromo-1H-pyrimidin-6-one
CID 113604888
4-[[2-(aminomethyl)cyclohexyl]methoxy]-5-bromo-1H-pyrimidin-6-one
CID 113604890
5-bromo-4-(piperidin-4-ylmethoxy)-1H-pyrimidin-6-one
CID 114586349
5-bromo-4-(2-piperidin-2-ylethoxy)-1H-pyrimidin-6-one
CID 114586377
5-bromo-4-(piperidin-3-ylmethoxy)-1H-pyrimidin-6-one
CID 114586412
5-bromo-4-(piperidin-2-ylmethoxy)-1H-pyrimidin-6-one
CID 114586421
5-chloro-4-(2-piperidin-3-ylethoxy)-1H-pyrimidin-6-one
CID 114586434
4-(2-piperidin-3-ylethoxy)-1H-pyrimidin-6-one
CID 114586435
5-amino-4-(2-piperidin-3-ylethoxy)-1H-pyrimidin-6-one
CID 114586439
5-iodo-4-(2-piperidin-3-ylethoxy)-1H-pyrimidin-6-one
CID 114586440
4-[[2-(aminomethyl)cyclopentyl]methoxy]-5-bromo-1H-pyrimidin-6-one
CID 114586531

Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-(2-piperidin-3-ylethoxy)-1H-pyrimidin-6-one?
The IUPAC name of 5-bromo-4-(2-piperidin-3-ylethoxy)-1H-pyrimidin-6-one (CID 114586438) is 5-bromo-4-(2-piperidin-3-ylethoxy)-1H-pyrimidin-6-one.
What is the SMILES notation for 5-bromo-4-(2-piperidin-3-ylethoxy)-1H-pyrimidin-6-one?
The canonical SMILES for 5-bromo-4-(2-piperidin-3-ylethoxy)-1H-pyrimidin-6-one is O=c1[nH]cnc(OCCC2CCCNC2)c1Br.
What is the InChIKey of 5-bromo-4-(2-piperidin-3-ylethoxy)-1H-pyrimidin-6-one?
The InChIKey is HXEPHXZWMZPIKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16BrN3O2/c12-9-10(16)14-7-15-11(9)17-5-3-8-2-1-4-13-6-8/h7-8,13H,1-6H2,(H,14,15,16).
What are the key properties of 5-bromo-4-(2-piperidin-3-ylethoxy)-1H-pyrimidin-6-one?
5-bromo-4-(2-piperidin-3-ylethoxy)-1H-pyrimidin-6-one has a molecular weight of 302.17 g/mol, XLogP of 1.30, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-(2-piperidin-3-ylethoxy)-1H-pyrimidin-6-one is sourced from PubChem (CID 114586438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).