2-chloro-4-(2,4-dibromophenoxy)-6-pyrrolidin-1-yl-1,3,5-triazine

C13H11Br2ClN4O — CID 64719973

IUPAC2-chloro-4-(2,4-dibromophenoxy)-6-pyrrolidin-1-yl-1,3,5-triazine
SMILESClc1nc(Oc2ccc(Br)cc2Br)nc(N2CCCC2)n1
InChIInChI=1S/C13H11Br2ClN4O/c14-8-3-4-10(9(15)7-8)21-13-18-11(16)17-12(19-13)20-5-1-2-6-20/h3-4,7H,1-2,5-6H2
InChIKeyYLGCLNIGUGAPFS-UHFFFAOYSA-N
MW434.52 g/mol
LogP4.44
Rot. Bonds3

About 2-chloro-4-(2,4-dibromophenoxy)-6-pyrrolidin-1-yl-1,3,5-triazine

2-chloro-4-(2,4-dibromophenoxy)-6-pyrrolidin-1-yl-1,3,5-triazine (PubChem CID 64719973) has the molecular formula C13H11Br2ClN4O and a molecular weight of 434.52 g/mol. Its IUPAC name is 2-chloro-4-(2,4-dibromophenoxy)-6-pyrrolidin-1-yl-1,3,5-triazine.

Molecular Properties

Compound Name2-chloro-4-(2,4-dibromophenoxy)-6-pyrrolidin-1-yl-1,3,5-triazine
PubChem CID64719973
Molecular FormulaC13H11Br2ClN4O
Molecular Weight434.52 g/mol
Exact Mass431.90
IUPAC Name2-chloro-4-(2,4-dibromophenoxy)-6-pyrrolidin-1-yl-1,3,5-triazine
SMILESClc1nc(Oc2ccc(Br)cc2Br)nc(N2CCCC2)n1
InChIInChI=1S/C13H11Br2ClN4O/c14-8-3-4-10(9(15)7-8)21-13-18-11(16)17-12(19-13)20-5-1-2-6-20/h3-4,7H,1-2,5-6H2
InChIKeyYLGCLNIGUGAPFS-UHFFFAOYSA-N
XLogP4.44
TPSA51.14 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.52
LogP ≤ 54.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-chloro-4-(2,4-dibromophenoxy)-6-pyrrolidin-1-yl-1,3,5-triazine 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 2-chloro-4-(2,4-dibromophenoxy)-6-pyrrolidin-1-yl-1,3,5-triazine?
The IUPAC name of 2-chloro-4-(2,4-dibromophenoxy)-6-pyrrolidin-1-yl-1,3,5-triazine (CID 64719973) is 2-chloro-4-(2,4-dibromophenoxy)-6-pyrrolidin-1-yl-1,3,5-triazine.
What is the SMILES notation for 2-chloro-4-(2,4-dibromophenoxy)-6-pyrrolidin-1-yl-1,3,5-triazine?
The canonical SMILES for 2-chloro-4-(2,4-dibromophenoxy)-6-pyrrolidin-1-yl-1,3,5-triazine is Clc1nc(Oc2ccc(Br)cc2Br)nc(N2CCCC2)n1.
What is the InChIKey of 2-chloro-4-(2,4-dibromophenoxy)-6-pyrrolidin-1-yl-1,3,5-triazine?
The InChIKey is YLGCLNIGUGAPFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11Br2ClN4O/c14-8-3-4-10(9(15)7-8)21-13-18-11(16)17-12(19-13)20-5-1-2-6-20/h3-4,7H,1-2,5-6H2.
What are the key properties of 2-chloro-4-(2,4-dibromophenoxy)-6-pyrrolidin-1-yl-1,3,5-triazine?
2-chloro-4-(2,4-dibromophenoxy)-6-pyrrolidin-1-yl-1,3,5-triazine has a molecular weight of 434.52 g/mol, XLogP of 4.44, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-(2,4-dibromophenoxy)-6-pyrrolidin-1-yl-1,3,5-triazine is sourced from PubChem (CID 64719973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).