6-[4-(2-aminoethyl)piperazin-1-yl]-2-N,4-N-bis[2-(4-chlorophenyl)ethyl]-1,3,5-triazine-2,4-diamine

C25H32Cl2N8 — CID 56647765

About 6-[4-(2-aminoethyl)piperazin-1-yl]-2-N,4-N-bis[2-(4-chlorophenyl)ethyl]-1,3,5-triazine-2,4-diamine

6-[4-(2-aminoethyl)piperazin-1-yl]-2-N,4-N-bis[2-(4-chlorophenyl)ethyl]-1,3,5-triazine-2,4-diamine (PubChem CID 56647765) has the molecular formula C25H32Cl2N8 and a molecular weight of 515.49 g/mol. Its IUPAC name is 6-[4-(2-aminoethyl)piperazin-1-yl]-2-N,4-N-bis[2-(4-chlorophenyl)ethyl]-1,3,5-triazine-2,4-diamine.

Molecular Properties

• Compound Name: 6-[4-(2-aminoethyl)piperazin-1-yl]-2-N,4-N-bis[2-(4-chlorophenyl)ethyl]-1,3,5-triazine-2,4-diamine
• PubChem CID: 56647765
• Molecular Formula: C25H32Cl2N8
• Molecular Weight: 515.49 g/mol
• Exact Mass: 514.21
• IUPAC Name: 6-[4-(2-aminoethyl)piperazin-1-yl]-2-N,4-N-bis[2-(4-chlorophenyl)ethyl]-1,3,5-triazine-2,4-diamine
• SMILES: NCCN1CCN(c2nc(NCCc3ccc(Cl)cc3)nc(NCCc3ccc(Cl)cc3)n2)CC1
• InChI: InChI=1S/C25H32Cl2N8/c26-21-5-1-19(2-6-21)9-12-29-23-31-24(30-13-10-20-3-7-22(27)8-4-20)33-25(32-23)35-17-15-34(14-11-28)16-18-35/h1-8H,9-18,28H2,(H2,29,30,31,32,33)
• InChIKey: GXLWKHKZDXOSPZ-UHFFFAOYSA-N
• XLogP: 3.57
• TPSA: 95.23 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 8
• Rotatable Bonds: 11
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	515.49
LogP ≤ 5	3.57
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 6-[4-(2-aminoethyl)piperazin-1-yl]-2-N,4-N-bis[2-(4-chlorophenyl)ethyl]-1,3,5-triazine-2,4-diamine?

The IUPAC name of 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) is 6-[4-(2-aminoethyl)piperazin-1-yl]-2-N,4-N-bis[2-(4-chlorophenyl)ethyl]-1,3,5-triazine-2,4-diamine.

What is the SMILES notation for 6-[4-(2-aminoethyl)piperazin-1-yl]-2-N,4-N-bis[2-(4-chlorophenyl)ethyl]-1,3,5-triazine-2,4-diamine?

The canonical SMILES for 6-[4-(2-aminoethyl)piperazin-1-yl]-2-N,4-N-bis[2-(4-chlorophenyl)ethyl]-1,3,5-triazine-2,4-diamine is NCCN1CCN(c2nc(NCCc3ccc(Cl)cc3)nc(NCCc3ccc(Cl)cc3)n2)CC1.

What is the InChIKey of 6-[4-(2-aminoethyl)piperazin-1-yl]-2-N,4-N-bis[2-(4-chlorophenyl)ethyl]-1,3,5-triazine-2,4-diamine?

The InChIKey is GXLWKHKZDXOSPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32Cl2N8/c26-21-5-1-19(2-6-21)9-12-29-23-31-24(30-13-10-20-3-7-22(27)8-4-20)33-25(32-23)35-17-15-34(14-11-28)16-18-35/h1-8H,9-18,28H2,(H2,29,30,31,32,33).

What are the key properties of 6-[4-(2-aminoethyl)piperazin-1-yl]-2-N,4-N-bis[2-(4-chlorophenyl)ethyl]-1,3,5-triazine-2,4-diamine?

6-[4-(2-aminoethyl)piperazin-1-yl]-2-N,4-N-bis[2-(4-chlorophenyl)ethyl]-1,3,5-triazine-2,4-diamine has a molecular weight of 515.49 g/mol, XLogP of 3.57, 11 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[4-(2-aminoethyl)piperazin-1-yl]-2-N,4-N-bis[2-(4-chlorophenyl)ethyl]-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 56647765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).