5-bromo-1-(2-oxo-2-piperidin-1-ylethyl)pyrimidine-2,4-dione

C11H14BrN3O3 — CID 27378882

IUPAC5-bromo-1-(2-oxo-2-piperidin-1-ylethyl)pyrimidine-2,4-dione
SMILESO=C(Cn1cc(Br)c(=O)[nH]c1=O)N1CCCCC1
InChIInChI=1S/C11H14BrN3O3/c12-8-6-15(11(18)13-10(8)17)7-9(16)14-4-2-1-3-5-14/h6H,1-5,7H2,(H,13,17,18)
InChIKeyKDFFCEBKNQKNMT-UHFFFAOYSA-N
MW316.16 g/mol
LogP0.31
Rot. Bonds2

About 5-bromo-1-(2-oxo-2-piperidin-1-ylethyl)pyrimidine-2,4-dione

5-bromo-1-(2-oxo-2-piperidin-1-ylethyl)pyrimidine-2,4-dione (PubChem CID 27378882) has the molecular formula C11H14BrN3O3 and a molecular weight of 316.16 g/mol. Its IUPAC name is 5-bromo-1-(2-oxo-2-piperidin-1-ylethyl)pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-bromo-1-(2-oxo-2-piperidin-1-ylethyl)pyrimidine-2,4-dione
PubChem CID27378882
Molecular FormulaC11H14BrN3O3
Molecular Weight316.16 g/mol
Exact Mass315.02
IUPAC Name5-bromo-1-(2-oxo-2-piperidin-1-ylethyl)pyrimidine-2,4-dione
SMILESO=C(Cn1cc(Br)c(=O)[nH]c1=O)N1CCCCC1
InChIInChI=1S/C11H14BrN3O3/c12-8-6-15(11(18)13-10(8)17)7-9(16)14-4-2-1-3-5-14/h6H,1-5,7H2,(H,13,17,18)
InChIKeyKDFFCEBKNQKNMT-UHFFFAOYSA-N
XLogP0.31
TPSA75.17 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.16
LogP ≤ 50.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-1-(2-oxo-2-piperidin-1-ylethyl)pyrimidine-2,4-dione?
The IUPAC name of 5-bromo-1-(2-oxo-2-piperidin-1-ylethyl)pyrimidine-2,4-dione (CID 27378882) is 5-bromo-1-(2-oxo-2-piperidin-1-ylethyl)pyrimidine-2,4-dione.
What is the SMILES notation for 5-bromo-1-(2-oxo-2-piperidin-1-ylethyl)pyrimidine-2,4-dione?
The canonical SMILES for 5-bromo-1-(2-oxo-2-piperidin-1-ylethyl)pyrimidine-2,4-dione is O=C(Cn1cc(Br)c(=O)[nH]c1=O)N1CCCCC1.
What is the InChIKey of 5-bromo-1-(2-oxo-2-piperidin-1-ylethyl)pyrimidine-2,4-dione?
The InChIKey is KDFFCEBKNQKNMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrN3O3/c12-8-6-15(11(18)13-10(8)17)7-9(16)14-4-2-1-3-5-14/h6H,1-5,7H2,(H,13,17,18).
What are the key properties of 5-bromo-1-(2-oxo-2-piperidin-1-ylethyl)pyrimidine-2,4-dione?
5-bromo-1-(2-oxo-2-piperidin-1-ylethyl)pyrimidine-2,4-dione has a molecular weight of 316.16 g/mol, XLogP of 0.31, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-1-(2-oxo-2-piperidin-1-ylethyl)pyrimidine-2,4-dione is sourced from PubChem (CID 27378882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).