5-bromo-3-(2-piperidin-4-ylethyl)pyrimidin-4-one

C11H16BrN3O — CID 105061178

IUPAC5-bromo-3-(2-piperidin-4-ylethyl)pyrimidin-4-one
SMILESO=c1c(Br)cncn1CCC1CCNCC1
InChIInChI=1S/C11H16BrN3O/c12-10-7-14-8-15(11(10)16)6-3-9-1-4-13-5-2-9/h7-9,13H,1-6H2
InChIKeyOZTKQNMAQFUHKU-UHFFFAOYSA-N
MW286.17 g/mol
LogP1.40
Rot. Bonds3

About 5-bromo-3-(2-piperidin-4-ylethyl)pyrimidin-4-one

5-bromo-3-(2-piperidin-4-ylethyl)pyrimidin-4-one (PubChem CID 105061178) has the molecular formula C11H16BrN3O and a molecular weight of 286.17 g/mol. Its IUPAC name is 5-bromo-3-(2-piperidin-4-ylethyl)pyrimidin-4-one.

Molecular Properties

Compound Name5-bromo-3-(2-piperidin-4-ylethyl)pyrimidin-4-one
PubChem CID105061178
Molecular FormulaC11H16BrN3O
Molecular Weight286.17 g/mol
Exact Mass285.05
IUPAC Name5-bromo-3-(2-piperidin-4-ylethyl)pyrimidin-4-one
SMILESO=c1c(Br)cncn1CCC1CCNCC1
InChIInChI=1S/C11H16BrN3O/c12-10-7-14-8-15(11(10)16)6-3-9-1-4-13-5-2-9/h7-9,13H,1-6H2
InChIKeyOZTKQNMAQFUHKU-UHFFFAOYSA-N
XLogP1.40
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.17
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-Bromo-3-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]pyrimidin-4-one
CID 75426667
3-(Piperidin-4-ylmethyl)pyrimidin-4-one
CID 63769365
3-(2-Piperidin-3-ylethyl)pyrimidin-4-one
CID 63769703
5-Bromo-6-methyl-3-(piperidin-4-ylmethyl)pyrimidin-4-one
CID 66308118
5-Bromo-2-methyl-3-(piperidin-4-ylmethyl)pyrimidin-4-one
CID 66308164
5-Bromo-3-[2-(pentylamino)ethyl]pyrimidin-4-one
CID 66308312
5-Bromo-3-[2-(cyclopentylmethylamino)ethyl]pyrimidin-4-one
CID 66308313
5-Iodo-3-(piperidin-4-ylmethyl)pyrimidin-4-one
CID 66308649
5-Bromo-3-[2-(5-methylhexan-2-ylamino)ethyl]pyrimidin-4-one
CID 66308730
5-Bromo-3-[2-(4-methylpentylamino)ethyl]pyrimidin-4-one
CID 66308945
5-Bromo-2-methyl-3-(2-piperidin-3-ylethyl)pyrimidin-4-one
CID 66309007
5-Bromo-2-methyl-3-(piperidin-3-ylmethyl)pyrimidin-4-one
CID 66309008

Frequently Asked Questions

What is the IUPAC name of 5-bromo-3-(2-piperidin-4-ylethyl)pyrimidin-4-one?
The IUPAC name of 5-bromo-3-(2-piperidin-4-ylethyl)pyrimidin-4-one (CID 105061178) is 5-bromo-3-(2-piperidin-4-ylethyl)pyrimidin-4-one.
What is the SMILES notation for 5-bromo-3-(2-piperidin-4-ylethyl)pyrimidin-4-one?
The canonical SMILES for 5-bromo-3-(2-piperidin-4-ylethyl)pyrimidin-4-one is O=c1c(Br)cncn1CCC1CCNCC1.
What is the InChIKey of 5-bromo-3-(2-piperidin-4-ylethyl)pyrimidin-4-one?
The InChIKey is OZTKQNMAQFUHKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16BrN3O/c12-10-7-14-8-15(11(10)16)6-3-9-1-4-13-5-2-9/h7-9,13H,1-6H2.
What are the key properties of 5-bromo-3-(2-piperidin-4-ylethyl)pyrimidin-4-one?
5-bromo-3-(2-piperidin-4-ylethyl)pyrimidin-4-one has a molecular weight of 286.17 g/mol, XLogP of 1.40, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-3-(2-piperidin-4-ylethyl)pyrimidin-4-one is sourced from PubChem (CID 105061178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).