2-N-[2-[[4-[2-[[4-[2-[[4-[2-[[4-[2-[[6-(2-aminoethylimino)-4-ethylsulfanyl-1H-1,3,5-triazin-2-yl]amino]ethylamino]-6-ethylsulfanyl-1,3,5-triazin-2-yl]amino]ethylamino]-6-ethylsulfanyl-1,3,5-triazin-2-yl]amino]ethylamino]-6-ethylsulfanyl-1,3,5-triazin-2-yl]amino]ethylamino]-6-ethylsulfanyl-1,3,5-triazin-2-yl]amino]ethyl]-6-ethylsulfanyl-1,3,5-triazine-2,4-diamine

C42H69N31S6 — CID 145028915

About 2-N-[2-[[4-[2-[[4-[2-[[4-[2-[[4-[2-[[6-(2-aminoethylimino)-4-ethylsulfanyl-1H-1,3,5-triazin-2-yl]amino]ethylamino]-6-ethylsulfanyl-1,3,5-triazin-2-yl]amino]ethylamino]-6-ethylsulfanyl-1,3,5-triazin-2-yl]amino]ethylamino]-6-ethylsulfanyl-1,3,5-triazin-2-yl]amino]ethylamino]-6-ethylsulfanyl-1,3,5-triazin-2-yl]amino]ethyl]-6-ethylsulfanyl-1,3,5-triazine-2,4-diamine

2-N-[2-[[4-[2-[[4-[2-[[4-[2-[[4-[2-[[6-(2-aminoethylimino)-4-ethylsulfanyl-1H-1,3,5-triazin-2-yl]amino]ethylamino]-6-ethylsulfanyl-1,3,5-triazin-2-yl]amino]ethylamino]-6-ethylsulfanyl-1,3,5-triazin-2-yl]amino]ethylamino]-6-ethylsulfanyl-1,3,5-triazin-2-yl]amino]ethylamino]-6-ethylsulfanyl-1,3,5-triazin-2-yl]amino]ethyl]-6-ethylsulfanyl-1,3,5-triazine-2,4-diamine (PubChem CID 145028915) has the molecular formula C42H69N31S6 and a molecular weight of 1200.63 g/mol. Its IUPAC name is 2-N-[2-[[4-[2-[[4-[2-[[4-[2-[[4-[2-[[6-(2-aminoethylimino)-4-ethylsulfanyl-1H-1,3,5-triazin-2-yl]amino]ethylamino]-6-ethylsulfanyl-1,3,5-triazin-2-yl]amino]ethylamino]-6-ethylsulfanyl-1,3,5-triazin-2-yl]amino]ethylamino]-6-ethylsulfanyl-1,3,5-triazin-2-yl]amino]ethylamino]-6-ethylsulfanyl-1,3,5-triazin-2-yl]amino]ethyl]-6-ethylsulfanyl-1,3,5-triazine-2,4-diamine.

Molecular Properties

• Compound Name: 2-N-[2-[[4-[2-[[4-[2-[[4-[2-[[4-[2-[[6-(2-aminoethylimino)-4-ethylsulfanyl-1H-1,3,5-triazin-2-yl]amino]ethylamino]-6-ethylsulfanyl-1,3,5-triazin-2-yl]amino]ethylamino]-6-ethylsulfanyl-1,3,5-triazin-2-yl]amino]ethylamino]-6-ethylsulfanyl-1,3,5-triazin-2-yl]amino]ethylamino]-6-ethylsulfanyl-1,3,5-triazin-2-yl]amino]ethyl]-6-ethylsulfanyl-1,3,5-triazine-2,4-diamine
• PubChem CID: 145028915
• Molecular Formula: C42H69N31S6
• Molecular Weight: 1200.63 g/mol
• Exact Mass: 1199.47
• IUPAC Name: 2-N-[2-[[4-[2-[[4-[2-[[4-[2-[[4-[2-[[6-(2-aminoethylimino)-4-ethylsulfanyl-1H-1,3,5-triazin-2-yl]amino]ethylamino]-6-ethylsulfanyl-1,3,5-triazin-2-yl]amino]ethylamino]-6-ethylsulfanyl-1,3,5-triazin-2-yl]amino]ethylamino]-6-ethylsulfanyl-1,3,5-triazin-2-yl]amino]ethylamino]-6-ethylsulfanyl-1,3,5-triazin-2-yl]amino]ethyl]-6-ethylsulfanyl-1,3,5-triazine-2,4-diamine
• SMILES: CCSc1nc(N)nc(NCCNc2nc(NCCNc3nc(NCCNc4nc(NCCNc5nc(NCCNc6nc(SCC)n/c(=N\CCN)[nH]6)nc(SCC)n5)nc(SCC)n4)nc(SCC)n3)nc(SCC)n2)n1
• InChI: InChI=1S/C42H69N31S6/c1-7-74-37-57-25(44)56-26(63-37)46-15-16-47-29-59-30(67-39(66-29)76-9-3)50-19-20-51-33-61-34(71-41(70-33)78-11-5)54-23-24-55-36-62-35(72-42(73-36)79-12-6)53-22-21-52-32-60-31(68-40(69-32)77-10-4)49-18-17-48-28-58-27(45-14-13-43)64-38(65-28)75-8-2/h7-24,43H2,1-6H3,(H3,44,46,56,57,63)(H2,45,48,58,64,65)(H2,47,50,59,66,67)(H2,49,52,60,68,69)(H2,51,54,61,70,71)(H2,53,55,62,72,73)
• InChIKey: OQFCEOBDYNGLPG-UHFFFAOYSA-N
• XLogP: 3.46
• TPSA: 419.62 Ų
• H-Bond Donors: 13
• H-Bond Acceptors: 36
• Rotatable Bonds: 39
• Heavy Atoms: 79
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1200.63
LogP ≤ 5	3.46
H-Bond Donors ≤ 5	13
H-Bond Acceptors ≤ 10	36

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-N-[2-[[4-[2-[[4-[2-[[4-[2-[[4-[2-[[6-(2-aminoethylimino)-4-ethylsulfanyl-1H-1,3,5-triazin-2-yl]amino]ethylamino]-6-ethylsulfanyl-1,3,5-triazin-2-yl]amino]ethylamino]-6-ethylsulfanyl-1,3,5-triazin-2-yl]amino]ethylamino]-6-ethylsulfanyl-1,3,5-triazin-2-yl]amino]ethylamino]-6-ethylsulfanyl-1,3,5-triazin-2-yl]amino]ethyl]-6-ethylsulfanyl-1,3,5-triazine-2,4-diamine?

The IUPAC name of 2-N-[2-[[4-[2-[[4-[2-[[4-[2-[[4-[2-[[6-(2-aminoethylimino)-4-ethylsulfanyl-1H-1,3,5-triazin-2-yl]amino]ethylamino]-6-ethylsulfanyl-1,3,5-triazin-2-yl]amino]ethylamino]-6-ethylsulfanyl-1,3,5-triazin-2-yl]amino]ethylamino]-6-ethylsulfanyl-1,3,5-triazin-2-yl]amino]ethylamino]-6-ethylsulfanyl-1,3,5-triazin-2-yl]amino]ethyl]-6-ethylsulfanyl-1,3,5-triazine-2,4-diamine (CID 145028915) is 2-N-[2-[[4-[2-[[4-[2-[[4-[2-[[4-[2-[[6-(2-aminoethylimino)-4-ethylsulfanyl-1H-1,3,5-triazin-2-yl]amino]ethylamino]-6-ethylsulfanyl-1,3,5-triazin-2-yl]amino]ethylamino]-6-ethylsulfanyl-1,3,5-triazin-2-yl]amino]ethylamino]-6-ethylsulfanyl-1,3,5-triazin-2-yl]amino]ethylamino]-6-ethylsulfanyl-1,3,5-triazin-2-yl]amino]ethyl]-6-ethylsulfanyl-1,3,5-triazine-2,4-diamine.

What is the SMILES notation for 2-N-[2-[[4-[2-[[4-[2-[[4-[2-[[4-[2-[[6-(2-aminoethylimino)-4-ethylsulfanyl-1H-1,3,5-triazin-2-yl]amino]ethylamino]-6-ethylsulfanyl-1,3,5-triazin-2-yl]amino]ethylamino]-6-ethylsulfanyl-1,3,5-triazin-2-yl]amino]ethylamino]-6-ethylsulfanyl-1,3,5-triazin-2-yl]amino]ethylamino]-6-ethylsulfanyl-1,3,5-triazin-2-yl]amino]ethyl]-6-ethylsulfanyl-1,3,5-triazine-2,4-diamine?

The canonical SMILES for 2-N-[2-[[4-[2-[[4-[2-[[4-[2-[[4-[2-[[6-(2-aminoethylimino)-4-ethylsulfanyl-1H-1,3,5-triazin-2-yl]amino]ethylamino]-6-ethylsulfanyl-1,3,5-triazin-2-yl]amino]ethylamino]-6-ethylsulfanyl-1,3,5-triazin-2-yl]amino]ethylamino]-6-ethylsulfanyl-1,3,5-triazin-2-yl]amino]ethylamino]-6-ethylsulfanyl-1,3,5-triazin-2-yl]amino]ethyl]-6-ethylsulfanyl-1,3,5-triazine-2,4-diamine is CCSc1nc(N)nc(NCCNc2nc(NCCNc3nc(NCCNc4nc(NCCNc5nc(NCCNc6nc(SCC)n/c(=N\CCN)[nH]6)nc(SCC)n5)nc(SCC)n4)nc(SCC)n3)nc(SCC)n2)n1.

What is the InChIKey of 2-N-[2-[[4-[2-[[4-[2-[[4-[2-[[4-[2-[[6-(2-aminoethylimino)-4-ethylsulfanyl-1H-1,3,5-triazin-2-yl]amino]ethylamino]-6-ethylsulfanyl-1,3,5-triazin-2-yl]amino]ethylamino]-6-ethylsulfanyl-1,3,5-triazin-2-yl]amino]ethylamino]-6-ethylsulfanyl-1,3,5-triazin-2-yl]amino]ethylamino]-6-ethylsulfanyl-1,3,5-triazin-2-yl]amino]ethyl]-6-ethylsulfanyl-1,3,5-triazine-2,4-diamine?

The InChIKey is OQFCEOBDYNGLPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H69N31S6/c1-7-74-37-57-25(44)56-26(63-37)46-15-16-47-29-59-30(67-39(66-29)76-9-3)50-19-20-51-33-61-34(71-41(70-33)78-11-5)54-23-24-55-36-62-35(72-42(73-36)79-12-6)53-22-21-52-32-60-31(68-40(69-32)77-10-4)49-18-17-48-28-58-27(45-14-13-43)64-38(65-28)75-8-2/h7-24,43H2,1-6H3,(H3,44,46,56,57,63)(H2,45,48,58,64,65)(H2,47,50,59,66,67)(H2,49,52,60,68,69)(H2,51,54,61,70,71)(H2,53,55,62,72,73).

What are the key properties of 2-N-[2-[[4-[2-[[4-[2-[[4-[2-[[4-[2-[[6-(2-aminoethylimino)-4-ethylsulfanyl-1H-1,3,5-triazin-2-yl]amino]ethylamino]-6-ethylsulfanyl-1,3,5-triazin-2-yl]amino]ethylamino]-6-ethylsulfanyl-1,3,5-triazin-2-yl]amino]ethylamino]-6-ethylsulfanyl-1,3,5-triazin-2-yl]amino]ethylamino]-6-ethylsulfanyl-1,3,5-triazin-2-yl]amino]ethyl]-6-ethylsulfanyl-1,3,5-triazine-2,4-diamine?

2-N-[2-[[4-[2-[[4-[2-[[4-[2-[[4-[2-[[6-(2-aminoethylimino)-4-ethylsulfanyl-1H-1,3,5-triazin-2-yl]amino]ethylamino]-6-ethylsulfanyl-1,3,5-triazin-2-yl]amino]ethylamino]-6-ethylsulfanyl-1,3,5-triazin-2-yl]amino]ethylamino]-6-ethylsulfanyl-1,3,5-triazin-2-yl]amino]ethylamino]-6-ethylsulfanyl-1,3,5-triazin-2-yl]amino]ethyl]-6-ethylsulfanyl-1,3,5-triazine-2,4-diamine has a molecular weight of 1200.63 g/mol, XLogP of 3.46, 39 rotatable bonds, 13 hydrogen bond donors, and 36 hydrogen bond acceptors.

Where does this data come from?

All data for 2-N-[2-[[4-[2-[[4-[2-[[4-[2-[[4-[2-[[6-(2-aminoethylimino)-4-ethylsulfanyl-1H-1,3,5-triazin-2-yl]amino]ethylamino]-6-ethylsulfanyl-1,3,5-triazin-2-yl]amino]ethylamino]-6-ethylsulfanyl-1,3,5-triazin-2-yl]amino]ethylamino]-6-ethylsulfanyl-1,3,5-triazin-2-yl]amino]ethylamino]-6-ethylsulfanyl-1,3,5-triazin-2-yl]amino]ethyl]-6-ethylsulfanyl-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 145028915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).