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

C24H31Cl2N7 — CID 56647700

IUPAC2-N,4-N-bis[2-(4-chlorophenyl)ethyl]-6-N-[3-(dimethylamino)propyl]-1,3,5-triazine-2,4,6-triamine
SMILESCN(C)CCCNc1nc(NCCc2ccc(Cl)cc2)nc(NCCc2ccc(Cl)cc2)n1
InChIInChI=1S/C24H31Cl2N7/c1-33(2)17-3-14-27-22-30-23(28-15-12-18-4-8-20(25)9-5-18)32-24(31-22)29-16-13-19-6-10-21(26)11-7-19/h4-11H,3,12-17H2,1-2H3,(H3,27,28,29,30,31,32)
InChIKeyYCUAFUMMCRCDTQ-UHFFFAOYSA-N
MW488.47 g/mol
LogP4.85
Rot. Bonds13

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

2-N,4-N-bis[2-(4-chlorophenyl)ethyl]-6-N-[3-(dimethylamino)propyl]-1,3,5-triazine-2,4,6-triamine (PubChem CID 56647700) has the molecular formula C24H31Cl2N7 and a molecular weight of 488.47 g/mol. Its IUPAC name is 2-N,4-N-bis[2-(4-chlorophenyl)ethyl]-6-N-[3-(dimethylamino)propyl]-1,3,5-triazine-2,4,6-triamine.

Molecular Properties

Compound Name2-N,4-N-bis[2-(4-chlorophenyl)ethyl]-6-N-[3-(dimethylamino)propyl]-1,3,5-triazine-2,4,6-triamine
PubChem CID56647700
Molecular FormulaC24H31Cl2N7
Molecular Weight488.47 g/mol
Exact Mass487.20
IUPAC Name2-N,4-N-bis[2-(4-chlorophenyl)ethyl]-6-N-[3-(dimethylamino)propyl]-1,3,5-triazine-2,4,6-triamine
SMILESCN(C)CCCNc1nc(NCCc2ccc(Cl)cc2)nc(NCCc2ccc(Cl)cc2)n1
InChIInChI=1S/C24H31Cl2N7/c1-33(2)17-3-14-27-22-30-23(28-15-12-18-4-8-20(25)9-5-18)32-24(31-22)29-16-13-19-6-10-21(26)11-7-19/h4-11H,3,12-17H2,1-2H3,(H3,27,28,29,30,31,32)
InChIKeyYCUAFUMMCRCDTQ-UHFFFAOYSA-N
XLogP4.85
TPSA78.00 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds13
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500488.47
LogP ≤ 54.85
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-chlorophenyl)ethyl]-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

1-[4-[1-(4-Chlorophenyl)propan-2-ylamino]-6-(cyclopentylamino)-1,3,5-triazin-2-yl]-4-phenylpiperidine-4-carbonitrile
CID 44534123
n2,n4-Bis(4-fluorophenethyl)-n6-(3-(dimethylamino)propyl)-1,3,5-triazine-2,4,6-triamine
CID 56643402
6-N-[3-(dimethylamino)propyl]-2-N,4-N-bis[2-(3-fluorophenyl)ethyl]-1,3,5-triazine-2,4,6-triamine
CID 56646927
2-N,4-N-bis[(2,4-dichlorophenyl)methyl]-6-N-[3-(dimethylamino)propyl]-1,3,5-triazine-2,4,6-triamine
CID 56646932
6-[4-(2-aminoethyl)piperazin-1-yl]-2-N,4-N-bis[2-(4-chlorophenyl)ethyl]-1,3,5-triazine-2,4-diamine
CID 56647765
6-N-[3-(dimethylamino)propyl]-2-N,4-N-bis(2-phenylethyl)-1,3,5-triazine-2,4,6-triamine
CID 56647766
6-N-[3-(dimethylamino)propyl]-2-N,4-N-bis[2-(2-fluorophenyl)ethyl]-1,3,5-triazine-2,4,6-triamine
CID 56647770
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
4-N,6-N-bis[2-(4-chlorophenyl)ethyl]-2-N-(4-methylpiperazin-1-yl)-1,3,5-triazine-2,4,6-triamine
CID 56647704

Frequently Asked Questions

What is the IUPAC name of 2-N,4-N-bis[2-(4-chlorophenyl)ethyl]-6-N-[3-(dimethylamino)propyl]-1,3,5-triazine-2,4,6-triamine?
The IUPAC name of 2-N,4-N-bis[2-(4-chlorophenyl)ethyl]-6-N-[3-(dimethylamino)propyl]-1,3,5-triazine-2,4,6-triamine (CID 56647700) is 2-N,4-N-bis[2-(4-chlorophenyl)ethyl]-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-chlorophenyl)ethyl]-6-N-[3-(dimethylamino)propyl]-1,3,5-triazine-2,4,6-triamine?
The canonical SMILES for 2-N,4-N-bis[2-(4-chlorophenyl)ethyl]-6-N-[3-(dimethylamino)propyl]-1,3,5-triazine-2,4,6-triamine is CN(C)CCCNc1nc(NCCc2ccc(Cl)cc2)nc(NCCc2ccc(Cl)cc2)n1.
What is the InChIKey of 2-N,4-N-bis[2-(4-chlorophenyl)ethyl]-6-N-[3-(dimethylamino)propyl]-1,3,5-triazine-2,4,6-triamine?
The InChIKey is YCUAFUMMCRCDTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31Cl2N7/c1-33(2)17-3-14-27-22-30-23(28-15-12-18-4-8-20(25)9-5-18)32-24(31-22)29-16-13-19-6-10-21(26)11-7-19/h4-11H,3,12-17H2,1-2H3,(H3,27,28,29,30,31,32).
What are the key properties of 2-N,4-N-bis[2-(4-chlorophenyl)ethyl]-6-N-[3-(dimethylamino)propyl]-1,3,5-triazine-2,4,6-triamine?
2-N,4-N-bis[2-(4-chlorophenyl)ethyl]-6-N-[3-(dimethylamino)propyl]-1,3,5-triazine-2,4,6-triamine has a molecular weight of 488.47 g/mol, XLogP of 4.85, 13 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-chlorophenyl)ethyl]-6-N-[3-(dimethylamino)propyl]-1,3,5-triazine-2,4,6-triamine is sourced from PubChem (CID 56647700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).