5-bromo-2-chloro-4-(5-chloro-2-methylphenoxy)pyrimidine

C11H7BrCl2N2O — CID 79076865

IUPAC5-bromo-2-chloro-4-(5-chloro-2-methylphenoxy)pyrimidine
SMILESCc1ccc(Cl)cc1Oc1nc(Cl)ncc1Br
InChIInChI=1S/C11H7BrCl2N2O/c1-6-2-3-7(13)4-9(6)17-10-8(12)5-15-11(14)16-10/h2-5H,1H3
InChIKeyAHTMIZPMXBNNJY-UHFFFAOYSA-N
MW334.00 g/mol
LogP4.65
Rot. Bonds2

About 5-bromo-2-chloro-4-(5-chloro-2-methylphenoxy)pyrimidine

5-bromo-2-chloro-4-(5-chloro-2-methylphenoxy)pyrimidine (PubChem CID 79076865) has the molecular formula C11H7BrCl2N2O and a molecular weight of 334.00 g/mol. Its IUPAC name is 5-bromo-2-chloro-4-(5-chloro-2-methylphenoxy)pyrimidine.

Molecular Properties

Compound Name5-bromo-2-chloro-4-(5-chloro-2-methylphenoxy)pyrimidine
PubChem CID79076865
Molecular FormulaC11H7BrCl2N2O
Molecular Weight334.00 g/mol
Exact Mass331.91
IUPAC Name5-bromo-2-chloro-4-(5-chloro-2-methylphenoxy)pyrimidine
SMILESCc1ccc(Cl)cc1Oc1nc(Cl)ncc1Br
InChIInChI=1S/C11H7BrCl2N2O/c1-6-2-3-7(13)4-9(6)17-10-8(12)5-15-11(14)16-10/h2-5H,1H3
InChIKeyAHTMIZPMXBNNJY-UHFFFAOYSA-N
XLogP4.65
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.00
LogP ≤ 54.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 5-bromo-2-chloro-4-(5-chloro-2-methylphenoxy)pyrimidine 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 5-bromo-2-chloro-4-(5-chloro-2-methylphenoxy)pyrimidine?
The IUPAC name of 5-bromo-2-chloro-4-(5-chloro-2-methylphenoxy)pyrimidine (CID 79076865) is 5-bromo-2-chloro-4-(5-chloro-2-methylphenoxy)pyrimidine.
What is the SMILES notation for 5-bromo-2-chloro-4-(5-chloro-2-methylphenoxy)pyrimidine?
The canonical SMILES for 5-bromo-2-chloro-4-(5-chloro-2-methylphenoxy)pyrimidine is Cc1ccc(Cl)cc1Oc1nc(Cl)ncc1Br.
What is the InChIKey of 5-bromo-2-chloro-4-(5-chloro-2-methylphenoxy)pyrimidine?
The InChIKey is AHTMIZPMXBNNJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7BrCl2N2O/c1-6-2-3-7(13)4-9(6)17-10-8(12)5-15-11(14)16-10/h2-5H,1H3.
What are the key properties of 5-bromo-2-chloro-4-(5-chloro-2-methylphenoxy)pyrimidine?
5-bromo-2-chloro-4-(5-chloro-2-methylphenoxy)pyrimidine has a molecular weight of 334.00 g/mol, XLogP of 4.65, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-chloro-4-(5-chloro-2-methylphenoxy)pyrimidine is sourced from PubChem (CID 79076865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).