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

C23H29Cl2N7 — CID 56647702

IUPAC4-N,6-N-bis[2-(4-chlorophenyl)ethyl]-2-N-[2-(dimethylamino)ethyl]-1,3,5-triazine-2,4,6-triamine
SMILESCN(C)CCNc1nc(NCCc2ccc(Cl)cc2)nc(NCCc2ccc(Cl)cc2)n1
InChIInChI=1S/C23H29Cl2N7/c1-32(2)16-15-28-23-30-21(26-13-11-17-3-7-19(24)8-4-17)29-22(31-23)27-14-12-18-5-9-20(25)10-6-18/h3-10H,11-16H2,1-2H3,(H3,26,27,28,29,30,31)
InChIKeyVTIUYCXLBXXMIN-UHFFFAOYSA-N
MW474.44 g/mol
LogP4.46
Rot. Bonds12

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

4-N,6-N-bis[2-(4-chlorophenyl)ethyl]-2-N-[2-(dimethylamino)ethyl]-1,3,5-triazine-2,4,6-triamine (PubChem CID 56647702) has the molecular formula C23H29Cl2N7 and a molecular weight of 474.44 g/mol. Its IUPAC name is 4-N,6-N-bis[2-(4-chlorophenyl)ethyl]-2-N-[2-(dimethylamino)ethyl]-1,3,5-triazine-2,4,6-triamine.

Molecular Properties

Compound Name4-N,6-N-bis[2-(4-chlorophenyl)ethyl]-2-N-[2-(dimethylamino)ethyl]-1,3,5-triazine-2,4,6-triamine
PubChem CID56647702
Molecular FormulaC23H29Cl2N7
Molecular Weight474.44 g/mol
Exact Mass473.19
IUPAC Name4-N,6-N-bis[2-(4-chlorophenyl)ethyl]-2-N-[2-(dimethylamino)ethyl]-1,3,5-triazine-2,4,6-triamine
SMILESCN(C)CCNc1nc(NCCc2ccc(Cl)cc2)nc(NCCc2ccc(Cl)cc2)n1
InChIInChI=1S/C23H29Cl2N7/c1-32(2)16-15-28-23-30-21(26-13-11-17-3-7-19(24)8-4-17)29-22(31-23)27-14-12-18-5-9-20(25)10-6-18/h3-10H,11-16H2,1-2H3,(H3,26,27,28,29,30,31)
InChIKeyVTIUYCXLBXXMIN-UHFFFAOYSA-N
XLogP4.46
TPSA78.00 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds12
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.44
LogP ≤ 54.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

2-N,4-N-bis[(2,4-dichlorophenyl)methyl]-6-N-[3-(dimethylamino)propyl]-1,3,5-triazine-2,4,6-triamine
CID 56646932
2-N,4-N-bis[2-(4-chlorophenyl)ethyl]-6-N-[3-(dimethylamino)propyl]-1,3,5-triazine-2,4,6-triamine
CID 56647700
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
4-[(4-Chlorophenyl)methyl]-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-amine
CID 137650191
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-(4-methylpiperazin-1-yl)-1,3,5-triazine-2,4,6-triamine
CID 56647704
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
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

Frequently Asked Questions

What is the IUPAC name of 4-N,6-N-bis[2-(4-chlorophenyl)ethyl]-2-N-[2-(dimethylamino)ethyl]-1,3,5-triazine-2,4,6-triamine?
The IUPAC name of 4-N,6-N-bis[2-(4-chlorophenyl)ethyl]-2-N-[2-(dimethylamino)ethyl]-1,3,5-triazine-2,4,6-triamine (CID 56647702) is 4-N,6-N-bis[2-(4-chlorophenyl)ethyl]-2-N-[2-(dimethylamino)ethyl]-1,3,5-triazine-2,4,6-triamine.
What is the SMILES notation for 4-N,6-N-bis[2-(4-chlorophenyl)ethyl]-2-N-[2-(dimethylamino)ethyl]-1,3,5-triazine-2,4,6-triamine?
The canonical SMILES for 4-N,6-N-bis[2-(4-chlorophenyl)ethyl]-2-N-[2-(dimethylamino)ethyl]-1,3,5-triazine-2,4,6-triamine is CN(C)CCNc1nc(NCCc2ccc(Cl)cc2)nc(NCCc2ccc(Cl)cc2)n1.
What is the InChIKey of 4-N,6-N-bis[2-(4-chlorophenyl)ethyl]-2-N-[2-(dimethylamino)ethyl]-1,3,5-triazine-2,4,6-triamine?
The InChIKey is VTIUYCXLBXXMIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29Cl2N7/c1-32(2)16-15-28-23-30-21(26-13-11-17-3-7-19(24)8-4-17)29-22(31-23)27-14-12-18-5-9-20(25)10-6-18/h3-10H,11-16H2,1-2H3,(H3,26,27,28,29,30,31).
What are the key properties of 4-N,6-N-bis[2-(4-chlorophenyl)ethyl]-2-N-[2-(dimethylamino)ethyl]-1,3,5-triazine-2,4,6-triamine?
4-N,6-N-bis[2-(4-chlorophenyl)ethyl]-2-N-[2-(dimethylamino)ethyl]-1,3,5-triazine-2,4,6-triamine has a molecular weight of 474.44 g/mol, XLogP of 4.46, 12 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N,6-N-bis[2-(4-chlorophenyl)ethyl]-2-N-[2-(dimethylamino)ethyl]-1,3,5-triazine-2,4,6-triamine is sourced from PubChem (CID 56647702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).