6-chloro-4-N-(4-chlorophenyl)-2-N-cyclohexyl-1,3,5-triazine-2,4-diamine

C15H17Cl2N5 — CID 758948

IUPAC6-chloro-4-N-(4-chlorophenyl)-2-N-cyclohexyl-1,3,5-triazine-2,4-diamine
SMILESClc1ccc(Nc2nc(Cl)nc(NC3CCCCC3)n2)cc1
InChIInChI=1S/C15H17Cl2N5/c16-10-6-8-12(9-7-10)19-15-21-13(17)20-14(22-15)18-11-4-2-1-3-5-11/h6-9,11H,1-5H2,(H2,18,19,20,21,22)
InChIKeyWPCYONXFPNNGEA-UHFFFAOYSA-N
MW338.24 g/mol
LogP4.67
Rot. Bonds4

About 6-chloro-4-N-(4-chlorophenyl)-2-N-cyclohexyl-1,3,5-triazine-2,4-diamine

6-chloro-4-N-(4-chlorophenyl)-2-N-cyclohexyl-1,3,5-triazine-2,4-diamine (PubChem CID 758948) has the molecular formula C15H17Cl2N5 and a molecular weight of 338.24 g/mol. Its IUPAC name is 6-chloro-4-N-(4-chlorophenyl)-2-N-cyclohexyl-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name6-chloro-4-N-(4-chlorophenyl)-2-N-cyclohexyl-1,3,5-triazine-2,4-diamine
PubChem CID758948
Molecular FormulaC15H17Cl2N5
Molecular Weight338.24 g/mol
Exact Mass337.09
IUPAC Name6-chloro-4-N-(4-chlorophenyl)-2-N-cyclohexyl-1,3,5-triazine-2,4-diamine
SMILESClc1ccc(Nc2nc(Cl)nc(NC3CCCCC3)n2)cc1
InChIInChI=1S/C15H17Cl2N5/c16-10-6-8-12(9-7-10)19-15-21-13(17)20-14(22-15)18-11-4-2-1-3-5-11/h6-9,11H,1-5H2,(H2,18,19,20,21,22)
InChIKeyWPCYONXFPNNGEA-UHFFFAOYSA-N
XLogP4.67
TPSA62.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.24
LogP ≤ 54.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 6-chloro-4-N-(4-chlorophenyl)-2-N-cyclohexyl-1,3,5-triazine-2,4-diamine 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 6-chloro-4-N-(4-chlorophenyl)-2-N-cyclohexyl-1,3,5-triazine-2,4-diamine?
The IUPAC name of 6-chloro-4-N-(4-chlorophenyl)-2-N-cyclohexyl-1,3,5-triazine-2,4-diamine (CID 758948) is 6-chloro-4-N-(4-chlorophenyl)-2-N-cyclohexyl-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 6-chloro-4-N-(4-chlorophenyl)-2-N-cyclohexyl-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 6-chloro-4-N-(4-chlorophenyl)-2-N-cyclohexyl-1,3,5-triazine-2,4-diamine is Clc1ccc(Nc2nc(Cl)nc(NC3CCCCC3)n2)cc1.
What is the InChIKey of 6-chloro-4-N-(4-chlorophenyl)-2-N-cyclohexyl-1,3,5-triazine-2,4-diamine?
The InChIKey is WPCYONXFPNNGEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17Cl2N5/c16-10-6-8-12(9-7-10)19-15-21-13(17)20-14(22-15)18-11-4-2-1-3-5-11/h6-9,11H,1-5H2,(H2,18,19,20,21,22).
What are the key properties of 6-chloro-4-N-(4-chlorophenyl)-2-N-cyclohexyl-1,3,5-triazine-2,4-diamine?
6-chloro-4-N-(4-chlorophenyl)-2-N-cyclohexyl-1,3,5-triazine-2,4-diamine has a molecular weight of 338.24 g/mol, XLogP of 4.67, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-4-N-(4-chlorophenyl)-2-N-cyclohexyl-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 758948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).