5-bromo-3-(2-fluoroethyl)pyrimidin-4-one

C6H6BrFN2O — CID 80694151

IUPAC5-bromo-3-(2-fluoroethyl)pyrimidin-4-one
SMILESO=c1c(Br)cncn1CCF
InChIInChI=1S/C6H6BrFN2O/c7-5-3-9-4-10(2-1-8)6(5)11/h3-4H,1-2H2
InChIKeyOYNCAUQZVGDOCM-UHFFFAOYSA-N
MW221.03 g/mol
LogP0.98
Rot. Bonds2

About 5-bromo-3-(2-fluoroethyl)pyrimidin-4-one

5-bromo-3-(2-fluoroethyl)pyrimidin-4-one (PubChem CID 80694151) has the molecular formula C6H6BrFN2O and a molecular weight of 221.03 g/mol. Its IUPAC name is 5-bromo-3-(2-fluoroethyl)pyrimidin-4-one.

Molecular Properties

Compound Name5-bromo-3-(2-fluoroethyl)pyrimidin-4-one
PubChem CID80694151
Molecular FormulaC6H6BrFN2O
Molecular Weight221.03 g/mol
Exact Mass219.96
IUPAC Name5-bromo-3-(2-fluoroethyl)pyrimidin-4-one
SMILESO=c1c(Br)cncn1CCF
InChIInChI=1S/C6H6BrFN2O/c7-5-3-9-4-10(2-1-8)6(5)11/h3-4H,1-2H2
InChIKeyOYNCAUQZVGDOCM-UHFFFAOYSA-N
XLogP0.98
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.03
LogP ≤ 50.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-3-(2-fluoroethyl)pyrimidin-4-one?
The IUPAC name of 5-bromo-3-(2-fluoroethyl)pyrimidin-4-one (CID 80694151) is 5-bromo-3-(2-fluoroethyl)pyrimidin-4-one.
What is the SMILES notation for 5-bromo-3-(2-fluoroethyl)pyrimidin-4-one?
The canonical SMILES for 5-bromo-3-(2-fluoroethyl)pyrimidin-4-one is O=c1c(Br)cncn1CCF.
What is the InChIKey of 5-bromo-3-(2-fluoroethyl)pyrimidin-4-one?
The InChIKey is OYNCAUQZVGDOCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6BrFN2O/c7-5-3-9-4-10(2-1-8)6(5)11/h3-4H,1-2H2.
What are the key properties of 5-bromo-3-(2-fluoroethyl)pyrimidin-4-one?
5-bromo-3-(2-fluoroethyl)pyrimidin-4-one has a molecular weight of 221.03 g/mol, XLogP of 0.98, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-3-(2-fluoroethyl)pyrimidin-4-one is sourced from PubChem (CID 80694151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).