4-(5-bromo-2-chlorophenoxy)-6-chloro-2-ethylpyrimidine

C12H9BrCl2N2O — CID 80943851

IUPAC4-(5-bromo-2-chlorophenoxy)-6-chloro-2-ethylpyrimidine
SMILESCCc1nc(Cl)cc(Oc2cc(Br)ccc2Cl)n1
InChIInChI=1S/C12H9BrCl2N2O/c1-2-11-16-10(15)6-12(17-11)18-9-5-7(13)3-4-8(9)14/h3-6H,2H2,1H3
InChIKeyRFYPCKMKZVWPNC-UHFFFAOYSA-N
MW348.03 g/mol
LogP4.90
Rot. Bonds3

About 4-(5-bromo-2-chlorophenoxy)-6-chloro-2-ethylpyrimidine

4-(5-bromo-2-chlorophenoxy)-6-chloro-2-ethylpyrimidine (PubChem CID 80943851) has the molecular formula C12H9BrCl2N2O and a molecular weight of 348.03 g/mol. Its IUPAC name is 4-(5-bromo-2-chlorophenoxy)-6-chloro-2-ethylpyrimidine.

Molecular Properties

Compound Name4-(5-bromo-2-chlorophenoxy)-6-chloro-2-ethylpyrimidine
PubChem CID80943851
Molecular FormulaC12H9BrCl2N2O
Molecular Weight348.03 g/mol
Exact Mass345.93
IUPAC Name4-(5-bromo-2-chlorophenoxy)-6-chloro-2-ethylpyrimidine
SMILESCCc1nc(Cl)cc(Oc2cc(Br)ccc2Cl)n1
InChIInChI=1S/C12H9BrCl2N2O/c1-2-11-16-10(15)6-12(17-11)18-9-5-7(13)3-4-8(9)14/h3-6H,2H2,1H3
InChIKeyRFYPCKMKZVWPNC-UHFFFAOYSA-N
XLogP4.90
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.03
LogP ≤ 54.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 4-(5-bromo-2-chlorophenoxy)-6-chloro-2-ethylpyrimidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-(5-bromo-2-chlorophenoxy)-6-chloro-2-ethylpyrimidine?
The IUPAC name of 4-(5-bromo-2-chlorophenoxy)-6-chloro-2-ethylpyrimidine (CID 80943851) is 4-(5-bromo-2-chlorophenoxy)-6-chloro-2-ethylpyrimidine.
What is the SMILES notation for 4-(5-bromo-2-chlorophenoxy)-6-chloro-2-ethylpyrimidine?
The canonical SMILES for 4-(5-bromo-2-chlorophenoxy)-6-chloro-2-ethylpyrimidine is CCc1nc(Cl)cc(Oc2cc(Br)ccc2Cl)n1.
What is the InChIKey of 4-(5-bromo-2-chlorophenoxy)-6-chloro-2-ethylpyrimidine?
The InChIKey is RFYPCKMKZVWPNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9BrCl2N2O/c1-2-11-16-10(15)6-12(17-11)18-9-5-7(13)3-4-8(9)14/h3-6H,2H2,1H3.
What are the key properties of 4-(5-bromo-2-chlorophenoxy)-6-chloro-2-ethylpyrimidine?
4-(5-bromo-2-chlorophenoxy)-6-chloro-2-ethylpyrimidine has a molecular weight of 348.03 g/mol, XLogP of 4.90, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-bromo-2-chlorophenoxy)-6-chloro-2-ethylpyrimidine is sourced from PubChem (CID 80943851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).