2-N,4-N-bis(4-chlorophenyl)-6-N-(2-morpholin-4-ylethyl)-1,3,5-triazine-2,4,6-triamine

C21H23Cl2N7O — CID 1095343

IUPAC2-N,4-N-bis(4-chlorophenyl)-6-N-(2-morpholin-4-ylethyl)-1,3,5-triazine-2,4,6-triamine
SMILESClc1ccc(Nc2nc(NCCN3CCOCC3)nc(Nc3ccc(Cl)cc3)n2)cc1
InChIInChI=1S/C21H23Cl2N7O/c22-15-1-5-17(6-2-15)25-20-27-19(24-9-10-30-11-13-31-14-12-30)28-21(29-20)26-18-7-3-16(23)4-8-18/h1-8H,9-14H2,(H3,24,25,26,27,28,29)
InChIKeyMBHZGLCJWURYFK-UHFFFAOYSA-N
MW460.37 g/mol
LogP4.41
Rot. Bonds8

About 2-N,4-N-bis(4-chlorophenyl)-6-N-(2-morpholin-4-ylethyl)-1,3,5-triazine-2,4,6-triamine

2-N,4-N-bis(4-chlorophenyl)-6-N-(2-morpholin-4-ylethyl)-1,3,5-triazine-2,4,6-triamine (PubChem CID 1095343) has the molecular formula C21H23Cl2N7O and a molecular weight of 460.37 g/mol. Its IUPAC name is 2-N,4-N-bis(4-chlorophenyl)-6-N-(2-morpholin-4-ylethyl)-1,3,5-triazine-2,4,6-triamine.

Molecular Properties

Compound Name2-N,4-N-bis(4-chlorophenyl)-6-N-(2-morpholin-4-ylethyl)-1,3,5-triazine-2,4,6-triamine
PubChem CID1095343
Molecular FormulaC21H23Cl2N7O
Molecular Weight460.37 g/mol
Exact Mass459.13
IUPAC Name2-N,4-N-bis(4-chlorophenyl)-6-N-(2-morpholin-4-ylethyl)-1,3,5-triazine-2,4,6-triamine
SMILESClc1ccc(Nc2nc(NCCN3CCOCC3)nc(Nc3ccc(Cl)cc3)n2)cc1
InChIInChI=1S/C21H23Cl2N7O/c22-15-1-5-17(6-2-15)25-20-27-19(24-9-10-30-11-13-31-14-12-30)28-21(29-20)26-18-7-3-16(23)4-8-18/h1-8H,9-14H2,(H3,24,25,26,27,28,29)
InChIKeyMBHZGLCJWURYFK-UHFFFAOYSA-N
XLogP4.41
TPSA87.23 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.37
LogP ≤ 54.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze 2-N,4-N-bis(4-chlorophenyl)-6-N-(2-morpholin-4-ylethyl)-1,3,5-triazine-2,4,6-triamine with MolForge

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

Launch Full Analysis

Related Compounds

4-chloro-N-(2-morpholin-4-ylethyl)aniline
CID 28580807
2-N-(4-chlorophenyl)-4-N-(2-morpholin-4-ylethyl)quinazoline-2,4-diamine
CID 164613491
2-N-(4-chlorophenyl)-4-N-[4-[(7-chloroquinolin-4-yl)amino]phenyl]-6-N-(3-morpholin-4-ylpropyl)-1,3,5-triazine-2,4,6-triamine
CID 90666705
2-(4-chloroanilino)-6-methyl-N-(2-morpholin-4-ylethyl)pyrimidine-4-carboxamide
CID 109325370
4-N-[4-[(7-chloroquinolin-4-yl)amino]phenyl]-2-N-(4-fluorophenyl)-6-N-(3-morpholin-4-ylpropyl)-1,3,5-triazine-2,4,6-triamine
CID 90666697
4-N-(4-chlorophenyl)-1-N-(2-morpholin-4-ylethyl)-2-(trifluoromethyl)benzene-1,4-diamine
CID 156564066
5-(4-chlorophenyl)-4-methyl-N-(2-morpholin-4-ylethyl)pyrimidin-2-amine
CID 171989086
4-chloro-6-methyl-N-(2-morpholin-4-ylethyl)-1,3,5-triazin-2-amine
CID 143985982
4-N-(2,4-dichlorophenyl)-6-methyl-2-N-(2-morpholin-4-ylethyl)pyrimidine-2,4-diamine
CID 112913408
4-N-(4-tert-butylphenyl)-6-methyl-2-N-(2-morpholin-4-ylethyl)pyrimidine-2,4-diamine
CID 112913356
2-N-(4-chlorophenyl)-4-N-(3-morpholin-4-ylpropyl)-5-nitropyrimidine-2,4-diamine
CID 21080855
2-N-(4-chlorophenyl)-4-N-(4-ethylphenyl)-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine
CID 7192046

Frequently Asked Questions

What is the IUPAC name of 2-N,4-N-bis(4-chlorophenyl)-6-N-(2-morpholin-4-ylethyl)-1,3,5-triazine-2,4,6-triamine?
The IUPAC name of 2-N,4-N-bis(4-chlorophenyl)-6-N-(2-morpholin-4-ylethyl)-1,3,5-triazine-2,4,6-triamine (CID 1095343) is 2-N,4-N-bis(4-chlorophenyl)-6-N-(2-morpholin-4-ylethyl)-1,3,5-triazine-2,4,6-triamine.
What is the SMILES notation for 2-N,4-N-bis(4-chlorophenyl)-6-N-(2-morpholin-4-ylethyl)-1,3,5-triazine-2,4,6-triamine?
The canonical SMILES for 2-N,4-N-bis(4-chlorophenyl)-6-N-(2-morpholin-4-ylethyl)-1,3,5-triazine-2,4,6-triamine is Clc1ccc(Nc2nc(NCCN3CCOCC3)nc(Nc3ccc(Cl)cc3)n2)cc1.
What is the InChIKey of 2-N,4-N-bis(4-chlorophenyl)-6-N-(2-morpholin-4-ylethyl)-1,3,5-triazine-2,4,6-triamine?
The InChIKey is MBHZGLCJWURYFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23Cl2N7O/c22-15-1-5-17(6-2-15)25-20-27-19(24-9-10-30-11-13-31-14-12-30)28-21(29-20)26-18-7-3-16(23)4-8-18/h1-8H,9-14H2,(H3,24,25,26,27,28,29).
What are the key properties of 2-N,4-N-bis(4-chlorophenyl)-6-N-(2-morpholin-4-ylethyl)-1,3,5-triazine-2,4,6-triamine?
2-N,4-N-bis(4-chlorophenyl)-6-N-(2-morpholin-4-ylethyl)-1,3,5-triazine-2,4,6-triamine has a molecular weight of 460.37 g/mol, XLogP of 4.41, 8 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,4-N-bis(4-chlorophenyl)-6-N-(2-morpholin-4-ylethyl)-1,3,5-triazine-2,4,6-triamine is sourced from PubChem (CID 1095343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).