5-bromo-6-chloro-3-(2-oxo-2-piperidin-1-ylethyl)pyrimidin-4-one

C11H13BrClN3O2 — CID 114583381

IUPAC5-bromo-6-chloro-3-(2-oxo-2-piperidin-1-ylethyl)pyrimidin-4-one
SMILESO=C(Cn1cnc(Cl)c(Br)c1=O)N1CCCCC1
InChIInChI=1S/C11H13BrClN3O2/c12-9-10(13)14-7-16(11(9)18)6-8(17)15-4-2-1-3-5-15/h7H,1-6H2
InChIKeyLLNZLUCXXQOQIR-UHFFFAOYSA-N
MW334.60 g/mol
LogP1.67
Rot. Bonds2

About 5-bromo-6-chloro-3-(2-oxo-2-piperidin-1-ylethyl)pyrimidin-4-one

5-bromo-6-chloro-3-(2-oxo-2-piperidin-1-ylethyl)pyrimidin-4-one (PubChem CID 114583381) has the molecular formula C11H13BrClN3O2 and a molecular weight of 334.60 g/mol. Its IUPAC name is 5-bromo-6-chloro-3-(2-oxo-2-piperidin-1-ylethyl)pyrimidin-4-one.

Molecular Properties

Compound Name5-bromo-6-chloro-3-(2-oxo-2-piperidin-1-ylethyl)pyrimidin-4-one
PubChem CID114583381
Molecular FormulaC11H13BrClN3O2
Molecular Weight334.60 g/mol
Exact Mass332.99
IUPAC Name5-bromo-6-chloro-3-(2-oxo-2-piperidin-1-ylethyl)pyrimidin-4-one
SMILESO=C(Cn1cnc(Cl)c(Br)c1=O)N1CCCCC1
InChIInChI=1S/C11H13BrClN3O2/c12-9-10(13)14-7-16(11(9)18)6-8(17)15-4-2-1-3-5-15/h7H,1-6H2
InChIKeyLLNZLUCXXQOQIR-UHFFFAOYSA-N
XLogP1.67
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.60
LogP ≤ 51.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-Bromo-3-(2-oxo-2-piperidin-1-ylethyl)pyrimidin-4-one
CID 66308505
5-Bromo-6-methyl-3-(2-oxo-2-piperidin-1-ylethyl)pyrimidin-4-one
CID 66309620
5-Bromo-3-(2-piperidin-1-ylethyl)pyrimidin-4-one
CID 66309777
5-Bromo-3-[2-oxo-2-(4-oxopiperidin-1-yl)ethyl]pyrimidin-4-one
CID 66310405
2-(5-bromo-4-chloro-6-oxopyrimidin-1-yl)-N,N-diethylpropanamide
CID 113604367
5-Bromo-6-chloro-3-(1-oxo-1-piperidin-1-ylpropan-2-yl)pyrimidin-4-one
CID 113604370
3-[2-(Azepan-1-yl)-2-oxoethyl]-5-bromo-6-chloropyrimidin-4-one
CID 113604389
6-Chloro-5-iodo-3-(2-oxo-2-piperidin-1-ylethyl)pyrimidin-4-one
CID 113604428
6-Chloro-3-(2-oxo-2-piperidin-1-ylethyl)pyrimidin-4-one
CID 114582085
5-Amino-6-chloro-3-(2-oxo-2-piperidin-1-ylethyl)pyrimidin-4-one
CID 114582525
5,6-Dichloro-3-(2-oxo-2-piperidin-1-ylethyl)pyrimidin-4-one
CID 114582953
5-Bromo-6-chloro-3-pentylpyrimidin-4-one
CID 114583326

Frequently Asked Questions

What is the IUPAC name of 5-bromo-6-chloro-3-(2-oxo-2-piperidin-1-ylethyl)pyrimidin-4-one?
The IUPAC name of 5-bromo-6-chloro-3-(2-oxo-2-piperidin-1-ylethyl)pyrimidin-4-one (CID 114583381) is 5-bromo-6-chloro-3-(2-oxo-2-piperidin-1-ylethyl)pyrimidin-4-one.
What is the SMILES notation for 5-bromo-6-chloro-3-(2-oxo-2-piperidin-1-ylethyl)pyrimidin-4-one?
The canonical SMILES for 5-bromo-6-chloro-3-(2-oxo-2-piperidin-1-ylethyl)pyrimidin-4-one is O=C(Cn1cnc(Cl)c(Br)c1=O)N1CCCCC1.
What is the InChIKey of 5-bromo-6-chloro-3-(2-oxo-2-piperidin-1-ylethyl)pyrimidin-4-one?
The InChIKey is LLNZLUCXXQOQIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13BrClN3O2/c12-9-10(13)14-7-16(11(9)18)6-8(17)15-4-2-1-3-5-15/h7H,1-6H2.
What are the key properties of 5-bromo-6-chloro-3-(2-oxo-2-piperidin-1-ylethyl)pyrimidin-4-one?
5-bromo-6-chloro-3-(2-oxo-2-piperidin-1-ylethyl)pyrimidin-4-one has a molecular weight of 334.60 g/mol, XLogP of 1.67, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-6-chloro-3-(2-oxo-2-piperidin-1-ylethyl)pyrimidin-4-one is sourced from PubChem (CID 114583381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).