6-[[4-(dipropylamino)-6-(ethylamino)-1,3,5-triazin-2-yl]tetrasulfanyl]-4-N-ethyl-2-N,2-N-dipropyl-1,3,5-triazine-2,4-diamine

C22H40N10S4 — CID 19816358

About 6-[[4-(dipropylamino)-6-(ethylamino)-1,3,5-triazin-2-yl]tetrasulfanyl]-4-N-ethyl-2-N,2-N-dipropyl-1,3,5-triazine-2,4-diamine

6-[[4-(dipropylamino)-6-(ethylamino)-1,3,5-triazin-2-yl]tetrasulfanyl]-4-N-ethyl-2-N,2-N-dipropyl-1,3,5-triazine-2,4-diamine (PubChem CID 19816358) has the molecular formula C22H40N10S4 and a molecular weight of 572.90 g/mol. Its IUPAC name is 6-[[4-(dipropylamino)-6-(ethylamino)-1,3,5-triazin-2-yl]tetrasulfanyl]-4-N-ethyl-2-N,2-N-dipropyl-1,3,5-triazine-2,4-diamine.

Molecular Properties

• Compound Name: 6-[[4-(dipropylamino)-6-(ethylamino)-1,3,5-triazin-2-yl]tetrasulfanyl]-4-N-ethyl-2-N,2-N-dipropyl-1,3,5-triazine-2,4-diamine
• PubChem CID: 19816358
• Molecular Formula: C22H40N10S4
• Molecular Weight: 572.90 g/mol
• Exact Mass: 572.23
• IUPAC Name: 6-[[4-(dipropylamino)-6-(ethylamino)-1,3,5-triazin-2-yl]tetrasulfanyl]-4-N-ethyl-2-N,2-N-dipropyl-1,3,5-triazine-2,4-diamine
• SMILES: CCCN(CCC)c1nc(NCC)nc(SSSSc2nc(NCC)nc(N(CCC)CCC)n2)n1
• InChI: InChI=1S/C22H40N10S4/c1-7-13-31(14-8-2)19-25-17(23-11-5)27-21(29-19)33-35-36-34-22-28-18(24-12-6)26-20(30-22)32(15-9-3)16-10-4/h7-16H2,1-6H3,(H,23,25,27,29)(H,24,26,28,30)
• InChIKey: MZHYLGKXDVVDLC-UHFFFAOYSA-N
• XLogP: 6.27
• TPSA: 107.88 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 14
• Rotatable Bonds: 19
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	572.90
LogP ≤ 5	6.27
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	14

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 6-[[4-(dipropylamino)-6-(ethylamino)-1,3,5-triazin-2-yl]tetrasulfanyl]-4-N-ethyl-2-N,2-N-dipropyl-1,3,5-triazine-2,4-diamine?

The IUPAC name of 6-[[4-(dipropylamino)-6-(ethylamino)-1,3,5-triazin-2-yl]tetrasulfanyl]-4-N-ethyl-2-N,2-N-dipropyl-1,3,5-triazine-2,4-diamine (CID 19816358) is 6-[[4-(dipropylamino)-6-(ethylamino)-1,3,5-triazin-2-yl]tetrasulfanyl]-4-N-ethyl-2-N,2-N-dipropyl-1,3,5-triazine-2,4-diamine.

What is the SMILES notation for 6-[[4-(dipropylamino)-6-(ethylamino)-1,3,5-triazin-2-yl]tetrasulfanyl]-4-N-ethyl-2-N,2-N-dipropyl-1,3,5-triazine-2,4-diamine?

The canonical SMILES for 6-[[4-(dipropylamino)-6-(ethylamino)-1,3,5-triazin-2-yl]tetrasulfanyl]-4-N-ethyl-2-N,2-N-dipropyl-1,3,5-triazine-2,4-diamine is CCCN(CCC)c1nc(NCC)nc(SSSSc2nc(NCC)nc(N(CCC)CCC)n2)n1.

What is the InChIKey of 6-[[4-(dipropylamino)-6-(ethylamino)-1,3,5-triazin-2-yl]tetrasulfanyl]-4-N-ethyl-2-N,2-N-dipropyl-1,3,5-triazine-2,4-diamine?

The InChIKey is MZHYLGKXDVVDLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H40N10S4/c1-7-13-31(14-8-2)19-25-17(23-11-5)27-21(29-19)33-35-36-34-22-28-18(24-12-6)26-20(30-22)32(15-9-3)16-10-4/h7-16H2,1-6H3,(H,23,25,27,29)(H,24,26,28,30).

What are the key properties of 6-[[4-(dipropylamino)-6-(ethylamino)-1,3,5-triazin-2-yl]tetrasulfanyl]-4-N-ethyl-2-N,2-N-dipropyl-1,3,5-triazine-2,4-diamine?

6-[[4-(dipropylamino)-6-(ethylamino)-1,3,5-triazin-2-yl]tetrasulfanyl]-4-N-ethyl-2-N,2-N-dipropyl-1,3,5-triazine-2,4-diamine has a molecular weight of 572.90 g/mol, XLogP of 6.27, 19 rotatable bonds, 2 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[[4-(dipropylamino)-6-(ethylamino)-1,3,5-triazin-2-yl]tetrasulfanyl]-4-N-ethyl-2-N,2-N-dipropyl-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 19816358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).