2-N,4-N-bis[(2,4-dichlorophenyl)methyl]-6-N-[3-(dimethylamino)propyl]-1,3,5-triazine-2,4,6-triamine

C22H25Cl4N7 — CID 56646932

IUPAC2-N,4-N-bis[(2,4-dichlorophenyl)methyl]-6-N-[3-(dimethylamino)propyl]-1,3,5-triazine-2,4,6-triamine
SMILESCN(C)CCCNc1nc(NCc2ccc(Cl)cc2Cl)nc(NCc2ccc(Cl)cc2Cl)n1
InChIInChI=1S/C22H25Cl4N7/c1-33(2)9-3-8-27-20-30-21(28-12-14-4-6-16(23)10-18(14)25)32-22(31-20)29-13-15-5-7-17(24)11-19(15)26/h4-7,10-11H,3,8-9,12-13H2,1-2H3,(H3,27,28,29,30,31,32)
InChIKeySRSGYLCJGXDIJZ-UHFFFAOYSA-N
MW529.30 g/mol
LogP6.07
Rot. Bonds11

About 2-N,4-N-bis[(2,4-dichlorophenyl)methyl]-6-N-[3-(dimethylamino)propyl]-1,3,5-triazine-2,4,6-triamine

2-N,4-N-bis[(2,4-dichlorophenyl)methyl]-6-N-[3-(dimethylamino)propyl]-1,3,5-triazine-2,4,6-triamine (PubChem CID 56646932) has the molecular formula C22H25Cl4N7 and a molecular weight of 529.30 g/mol. Its IUPAC name is 2-N,4-N-bis[(2,4-dichlorophenyl)methyl]-6-N-[3-(dimethylamino)propyl]-1,3,5-triazine-2,4,6-triamine.

Molecular Properties

Compound Name2-N,4-N-bis[(2,4-dichlorophenyl)methyl]-6-N-[3-(dimethylamino)propyl]-1,3,5-triazine-2,4,6-triamine
PubChem CID56646932
Molecular FormulaC22H25Cl4N7
Molecular Weight529.30 g/mol
Exact Mass527.09
IUPAC Name2-N,4-N-bis[(2,4-dichlorophenyl)methyl]-6-N-[3-(dimethylamino)propyl]-1,3,5-triazine-2,4,6-triamine
SMILESCN(C)CCCNc1nc(NCc2ccc(Cl)cc2Cl)nc(NCc2ccc(Cl)cc2Cl)n1
InChIInChI=1S/C22H25Cl4N7/c1-33(2)9-3-8-27-20-30-21(28-12-14-4-6-16(23)10-18(14)25)32-22(31-20)29-13-15-5-7-17(24)11-19(15)26/h4-7,10-11H,3,8-9,12-13H2,1-2H3,(H3,27,28,29,30,31,32)
InChIKeySRSGYLCJGXDIJZ-UHFFFAOYSA-N
XLogP6.07
TPSA78.00 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds11
Heavy Atoms33
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500529.30
LogP ≤ 56.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 2-N,4-N-bis[(2,4-dichlorophenyl)methyl]-6-N-[3-(dimethylamino)propyl]-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

2,4-Dichlorobenzaldehyde [4-(benzylamino)-6-(dimethylamino)-1,3,5-triazin-2-yl]hydrazone
CID 9595521
2-N,4-N-bis[2-(4-chlorophenyl)ethyl]-6-N-[3-(dimethylamino)propyl]-1,3,5-triazine-2,4,6-triamine
CID 56647700
N2-(2,4-dichlorobenzyl)-N4-(5-(diethylamino)pentan-2-yl)-N6-methyl-1,3,5-triazine-2,4,6-triamine
CID 44430317
2-N,4-N-bis[(4-chlorophenyl)methyl]-6-N-[3-(dimethylamino)propyl]-1,3,5-triazine-2,4,6-triamine
CID 56646930
2-N,4-N-bis[2-(4-chlorophenyl)ethyl]-6-N-[2-(1-methylpyrrolidin-2-yl)ethyl]-1,3,5-triazine-2,4,6-triamine
CID 56647701
4-N,6-N-bis[2-(4-chlorophenyl)ethyl]-2-N-[2-(dimethylamino)ethyl]-1,3,5-triazine-2,4,6-triamine
CID 56647702
2-N,4-N-bis[2-(2,4-dichlorophenyl)ethyl]-6-N-[3-(dimethylamino)propyl]-1,3,5-triazine-2,4,6-triamine
CID 56647768
[4,6-Bis(dimethylamino)-1,3,5-triazin-2-yl](4-chlorobenzyl)cyanamide
CID 1521552
2-N,4-N,6-N-tris[(4-chlorophenyl)methyl]-1,3,5-triazine-2,4,6-triamine
CID 44392517
N-[2-(2,4-Dichlorophenyl)ethyl]-1,3,5-triazin-2-amine
CID 91776337
4-chloro-6-[4-[(4-chlorophenyl)-phenyl-methyl]piperazin-1-yl]-N-cyclopropyl-1,3,5-triazin-2-amine
CID 71598299
6-chloro-2-N-[(2-chloro-3-fluorophenyl)methyl]-1,3,5-triazine-2,4-diamine
CID 166163801

Frequently Asked Questions

What is the IUPAC name of 2-N,4-N-bis[(2,4-dichlorophenyl)methyl]-6-N-[3-(dimethylamino)propyl]-1,3,5-triazine-2,4,6-triamine?
The IUPAC name of 2-N,4-N-bis[(2,4-dichlorophenyl)methyl]-6-N-[3-(dimethylamino)propyl]-1,3,5-triazine-2,4,6-triamine (CID 56646932) is 2-N,4-N-bis[(2,4-dichlorophenyl)methyl]-6-N-[3-(dimethylamino)propyl]-1,3,5-triazine-2,4,6-triamine.
What is the SMILES notation for 2-N,4-N-bis[(2,4-dichlorophenyl)methyl]-6-N-[3-(dimethylamino)propyl]-1,3,5-triazine-2,4,6-triamine?
The canonical SMILES for 2-N,4-N-bis[(2,4-dichlorophenyl)methyl]-6-N-[3-(dimethylamino)propyl]-1,3,5-triazine-2,4,6-triamine is CN(C)CCCNc1nc(NCc2ccc(Cl)cc2Cl)nc(NCc2ccc(Cl)cc2Cl)n1.
What is the InChIKey of 2-N,4-N-bis[(2,4-dichlorophenyl)methyl]-6-N-[3-(dimethylamino)propyl]-1,3,5-triazine-2,4,6-triamine?
The InChIKey is SRSGYLCJGXDIJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25Cl4N7/c1-33(2)9-3-8-27-20-30-21(28-12-14-4-6-16(23)10-18(14)25)32-22(31-20)29-13-15-5-7-17(24)11-19(15)26/h4-7,10-11H,3,8-9,12-13H2,1-2H3,(H3,27,28,29,30,31,32).
What are the key properties of 2-N,4-N-bis[(2,4-dichlorophenyl)methyl]-6-N-[3-(dimethylamino)propyl]-1,3,5-triazine-2,4,6-triamine?
2-N,4-N-bis[(2,4-dichlorophenyl)methyl]-6-N-[3-(dimethylamino)propyl]-1,3,5-triazine-2,4,6-triamine has a molecular weight of 529.30 g/mol, XLogP of 6.07, 11 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,4-N-bis[(2,4-dichlorophenyl)methyl]-6-N-[3-(dimethylamino)propyl]-1,3,5-triazine-2,4,6-triamine is sourced from PubChem (CID 56646932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).