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

C11H14BrN3O2 — CID 66308505

IUPAC5-bromo-3-(2-oxo-2-piperidin-1-ylethyl)pyrimidin-4-one
SMILESO=C(Cn1cncc(Br)c1=O)N1CCCCC1
InChIInChI=1S/C11H14BrN3O2/c12-9-6-13-8-15(11(9)17)7-10(16)14-4-2-1-3-5-14/h6,8H,1-5,7H2
InChIKeyYHEVMAFUKPICJC-UHFFFAOYSA-N
MW300.16 g/mol
LogP1.02
Rot. Bonds2

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

5-bromo-3-(2-oxo-2-piperidin-1-ylethyl)pyrimidin-4-one (PubChem CID 66308505) has the molecular formula C11H14BrN3O2 and a molecular weight of 300.16 g/mol. Its IUPAC name is 5-bromo-3-(2-oxo-2-piperidin-1-ylethyl)pyrimidin-4-one.

Molecular Properties

Compound Name5-bromo-3-(2-oxo-2-piperidin-1-ylethyl)pyrimidin-4-one
PubChem CID66308505
Molecular FormulaC11H14BrN3O2
Molecular Weight300.16 g/mol
Exact Mass299.03
IUPAC Name5-bromo-3-(2-oxo-2-piperidin-1-ylethyl)pyrimidin-4-one
SMILESO=C(Cn1cncc(Br)c1=O)N1CCCCC1
InChIInChI=1S/C11H14BrN3O2/c12-9-6-13-8-15(11(9)17)7-10(16)14-4-2-1-3-5-14/h6,8H,1-5,7H2
InChIKeyYHEVMAFUKPICJC-UHFFFAOYSA-N
XLogP1.02
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.16
LogP ≤ 51.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-3-(2-oxo-2-piperidin-1-ylethyl)pyrimidin-4-one?
The IUPAC name of 5-bromo-3-(2-oxo-2-piperidin-1-ylethyl)pyrimidin-4-one (CID 66308505) is 5-bromo-3-(2-oxo-2-piperidin-1-ylethyl)pyrimidin-4-one.
What is the SMILES notation for 5-bromo-3-(2-oxo-2-piperidin-1-ylethyl)pyrimidin-4-one?
The canonical SMILES for 5-bromo-3-(2-oxo-2-piperidin-1-ylethyl)pyrimidin-4-one is O=C(Cn1cncc(Br)c1=O)N1CCCCC1.
What is the InChIKey of 5-bromo-3-(2-oxo-2-piperidin-1-ylethyl)pyrimidin-4-one?
The InChIKey is YHEVMAFUKPICJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrN3O2/c12-9-6-13-8-15(11(9)17)7-10(16)14-4-2-1-3-5-14/h6,8H,1-5,7H2.
What are the key properties of 5-bromo-3-(2-oxo-2-piperidin-1-ylethyl)pyrimidin-4-one?
5-bromo-3-(2-oxo-2-piperidin-1-ylethyl)pyrimidin-4-one has a molecular weight of 300.16 g/mol, XLogP of 1.02, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-3-(2-oxo-2-piperidin-1-ylethyl)pyrimidin-4-one is sourced from PubChem (CID 66308505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).