6-[[4-(diethylamino)-6-(ethylamino)-1,3,5-triazin-2-yl]trisulfanyl]-2-N,2-N,4-N-triethyl-1,3,5-triazine-2,4-diamine

C18H32N10S3 — CID 54292707

About 6-[[4-(diethylamino)-6-(ethylamino)-1,3,5-triazin-2-yl]trisulfanyl]-2-N,2-N,4-N-triethyl-1,3,5-triazine-2,4-diamine

6-[[4-(diethylamino)-6-(ethylamino)-1,3,5-triazin-2-yl]trisulfanyl]-2-N,2-N,4-N-triethyl-1,3,5-triazine-2,4-diamine (PubChem CID 54292707) has the molecular formula C18H32N10S3 and a molecular weight of 484.73 g/mol. Its IUPAC name is 6-[[4-(diethylamino)-6-(ethylamino)-1,3,5-triazin-2-yl]trisulfanyl]-2-N,2-N,4-N-triethyl-1,3,5-triazine-2,4-diamine.

Molecular Properties

• Compound Name: 6-[[4-(diethylamino)-6-(ethylamino)-1,3,5-triazin-2-yl]trisulfanyl]-2-N,2-N,4-N-triethyl-1,3,5-triazine-2,4-diamine
• PubChem CID: 54292707
• Molecular Formula: C18H32N10S3
• Molecular Weight: 484.73 g/mol
• Exact Mass: 484.20
• IUPAC Name: 6-[[4-(diethylamino)-6-(ethylamino)-1,3,5-triazin-2-yl]trisulfanyl]-2-N,2-N,4-N-triethyl-1,3,5-triazine-2,4-diamine
• SMILES: CCNc1nc(SSSc2nc(NCC)nc(N(CC)CC)n2)nc(N(CC)CC)n1
• InChI: InChI=1S/C18H32N10S3/c1-7-19-13-21-15(27(9-3)10-4)25-17(23-13)29-31-30-18-24-14(20-8-2)22-16(26-18)28(11-5)12-6/h7-12H2,1-6H3,(H,19,21,23,25)(H,20,22,24,26)
• InChIKey: RYQCOJOZADMAGZ-UHFFFAOYSA-N
• XLogP: 4.06
• TPSA: 107.88 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 13
• Rotatable Bonds: 14
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	484.73
LogP ≤ 5	4.06
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	13

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 6-[[4-(diethylamino)-6-(ethylamino)-1,3,5-triazin-2-yl]trisulfanyl]-2-N,2-N,4-N-triethyl-1,3,5-triazine-2,4-diamine?

The IUPAC name of 6-[[4-(diethylamino)-6-(ethylamino)-1,3,5-triazin-2-yl]trisulfanyl]-2-N,2-N,4-N-triethyl-1,3,5-triazine-2,4-diamine (CID 54292707) is 6-[[4-(diethylamino)-6-(ethylamino)-1,3,5-triazin-2-yl]trisulfanyl]-2-N,2-N,4-N-triethyl-1,3,5-triazine-2,4-diamine.

What is the SMILES notation for 6-[[4-(diethylamino)-6-(ethylamino)-1,3,5-triazin-2-yl]trisulfanyl]-2-N,2-N,4-N-triethyl-1,3,5-triazine-2,4-diamine?

The canonical SMILES for 6-[[4-(diethylamino)-6-(ethylamino)-1,3,5-triazin-2-yl]trisulfanyl]-2-N,2-N,4-N-triethyl-1,3,5-triazine-2,4-diamine is CCNc1nc(SSSc2nc(NCC)nc(N(CC)CC)n2)nc(N(CC)CC)n1.

What is the InChIKey of 6-[[4-(diethylamino)-6-(ethylamino)-1,3,5-triazin-2-yl]trisulfanyl]-2-N,2-N,4-N-triethyl-1,3,5-triazine-2,4-diamine?

The InChIKey is RYQCOJOZADMAGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32N10S3/c1-7-19-13-21-15(27(9-3)10-4)25-17(23-13)29-31-30-18-24-14(20-8-2)22-16(26-18)28(11-5)12-6/h7-12H2,1-6H3,(H,19,21,23,25)(H,20,22,24,26).

What are the key properties of 6-[[4-(diethylamino)-6-(ethylamino)-1,3,5-triazin-2-yl]trisulfanyl]-2-N,2-N,4-N-triethyl-1,3,5-triazine-2,4-diamine?

6-[[4-(diethylamino)-6-(ethylamino)-1,3,5-triazin-2-yl]trisulfanyl]-2-N,2-N,4-N-triethyl-1,3,5-triazine-2,4-diamine has a molecular weight of 484.73 g/mol, XLogP of 4.06, 14 rotatable bonds, 2 hydrogen bond donors, and 13 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[[4-(diethylamino)-6-(ethylamino)-1,3,5-triazin-2-yl]trisulfanyl]-2-N,2-N,4-N-triethyl-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 54292707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).