5-bromo-6-chloro-3-ethylpyrimidin-4-one

C6H6BrClN2O — CID 15924965

IUPAC5-bromo-6-chloro-3-ethylpyrimidin-4-one
SMILESCCn1cnc(Cl)c(Br)c1=O
InChIInChI=1S/C6H6BrClN2O/c1-2-10-3-9-5(8)4(7)6(10)11/h3H,2H2,1H3
InChIKeyLISYZKKRPBZEMP-UHFFFAOYSA-N
MW237.48 g/mol
LogP1.68
Rot. Bonds1

About 5-bromo-6-chloro-3-ethylpyrimidin-4-one

5-bromo-6-chloro-3-ethylpyrimidin-4-one (PubChem CID 15924965) has the molecular formula C6H6BrClN2O and a molecular weight of 237.48 g/mol. Its IUPAC name is 5-bromo-6-chloro-3-ethylpyrimidin-4-one.

Molecular Properties

Compound Name5-bromo-6-chloro-3-ethylpyrimidin-4-one
PubChem CID15924965
Molecular FormulaC6H6BrClN2O
Molecular Weight237.48 g/mol
Exact Mass235.94
IUPAC Name5-bromo-6-chloro-3-ethylpyrimidin-4-one
SMILESCCn1cnc(Cl)c(Br)c1=O
InChIInChI=1S/C6H6BrClN2O/c1-2-10-3-9-5(8)4(7)6(10)11/h3H,2H2,1H3
InChIKeyLISYZKKRPBZEMP-UHFFFAOYSA-N
XLogP1.68
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.48
LogP ≤ 51.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-6-chloro-3-ethylpyrimidin-4-one?
The IUPAC name of 5-bromo-6-chloro-3-ethylpyrimidin-4-one (CID 15924965) is 5-bromo-6-chloro-3-ethylpyrimidin-4-one.
What is the SMILES notation for 5-bromo-6-chloro-3-ethylpyrimidin-4-one?
The canonical SMILES for 5-bromo-6-chloro-3-ethylpyrimidin-4-one is CCn1cnc(Cl)c(Br)c1=O.
What is the InChIKey of 5-bromo-6-chloro-3-ethylpyrimidin-4-one?
The InChIKey is LISYZKKRPBZEMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6BrClN2O/c1-2-10-3-9-5(8)4(7)6(10)11/h3H,2H2,1H3.
What are the key properties of 5-bromo-6-chloro-3-ethylpyrimidin-4-one?
5-bromo-6-chloro-3-ethylpyrimidin-4-one has a molecular weight of 237.48 g/mol, XLogP of 1.68, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-6-chloro-3-ethylpyrimidin-4-one is sourced from PubChem (CID 15924965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).