5-bromo-4-chloro-6-ethylpyrimidine

C6H6BrClN2 — CID 21252672

IUPAC5-bromo-4-chloro-6-ethylpyrimidine
SMILESCCc1ncnc(Cl)c1Br
InChIInChI=1S/C6H6BrClN2/c1-2-4-5(7)6(8)10-3-9-4/h3H,2H2,1H3
InChIKeyUFRPTUDBOLHMNH-UHFFFAOYSA-N
MW221.48 g/mol
LogP2.45
Rot. Bonds1

About 5-bromo-4-chloro-6-ethylpyrimidine

5-bromo-4-chloro-6-ethylpyrimidine (PubChem CID 21252672) has the molecular formula C6H6BrClN2 and a molecular weight of 221.48 g/mol. Its IUPAC name is 5-bromo-4-chloro-6-ethylpyrimidine.

Molecular Properties

Compound Name5-bromo-4-chloro-6-ethylpyrimidine
PubChem CID21252672
Molecular FormulaC6H6BrClN2
Molecular Weight221.48 g/mol
Exact Mass219.94
IUPAC Name5-bromo-4-chloro-6-ethylpyrimidine
SMILESCCc1ncnc(Cl)c1Br
InChIInChI=1S/C6H6BrClN2/c1-2-4-5(7)6(8)10-3-9-4/h3H,2H2,1H3
InChIKeyUFRPTUDBOLHMNH-UHFFFAOYSA-N
XLogP2.45
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.48
LogP ≤ 52.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-chloro-6-ethylpyrimidine?
The IUPAC name of 5-bromo-4-chloro-6-ethylpyrimidine (CID 21252672) is 5-bromo-4-chloro-6-ethylpyrimidine.
What is the SMILES notation for 5-bromo-4-chloro-6-ethylpyrimidine?
The canonical SMILES for 5-bromo-4-chloro-6-ethylpyrimidine is CCc1ncnc(Cl)c1Br.
What is the InChIKey of 5-bromo-4-chloro-6-ethylpyrimidine?
The InChIKey is UFRPTUDBOLHMNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6BrClN2/c1-2-4-5(7)6(8)10-3-9-4/h3H,2H2,1H3.
What are the key properties of 5-bromo-4-chloro-6-ethylpyrimidine?
5-bromo-4-chloro-6-ethylpyrimidine has a molecular weight of 221.48 g/mol, XLogP of 2.45, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-chloro-6-ethylpyrimidine is sourced from PubChem (CID 21252672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).