6-N-[2-[4-(dimethylamino)-6-[2-(5-methylthiophen-2-yl)ethylimino]-2,5-dihydro-1H-1,3,5-triazin-2-yl]ethyl]-2-N,2-N,4-trimethyl-6-N-[2-(5-methylthiophen-2-yl)ethyl]-1,4-dihydro-1,3,5-triazine-2,6-diamine

C27H42N10S2 — CID 137229039

About 6-N-[2-[4-(dimethylamino)-6-[2-(5-methylthiophen-2-yl)ethylimino]-2,5-dihydro-1H-1,3,5-triazin-2-yl]ethyl]-2-N,2-N,4-trimethyl-6-N-[2-(5-methylthiophen-2-yl)ethyl]-1,4-dihydro-1,3,5-triazine-2,6-diamine

6-N-[2-[4-(dimethylamino)-6-[2-(5-methylthiophen-2-yl)ethylimino]-2,5-dihydro-1H-1,3,5-triazin-2-yl]ethyl]-2-N,2-N,4-trimethyl-6-N-[2-(5-methylthiophen-2-yl)ethyl]-1,4-dihydro-1,3,5-triazine-2,6-diamine (PubChem CID 137229039) has the molecular formula C27H42N10S2 and a molecular weight of 570.84 g/mol. Its IUPAC name is 6-N-[2-[4-(dimethylamino)-6-[2-(5-methylthiophen-2-yl)ethylimino]-2,5-dihydro-1H-1,3,5-triazin-2-yl]ethyl]-2-N,2-N,4-trimethyl-6-N-[2-(5-methylthiophen-2-yl)ethyl]-1,4-dihydro-1,3,5-triazine-2,6-diamine.

Molecular Properties

• Compound Name: 6-N-[2-[4-(dimethylamino)-6-[2-(5-methylthiophen-2-yl)ethylimino]-2,5-dihydro-1H-1,3,5-triazin-2-yl]ethyl]-2-N,2-N,4-trimethyl-6-N-[2-(5-methylthiophen-2-yl)ethyl]-1,4-dihydro-1,3,5-triazine-2,6-diamine
• PubChem CID: 137229039
• Molecular Formula: C27H42N10S2
• Molecular Weight: 570.84 g/mol
• Exact Mass: 570.30
• IUPAC Name: 6-N-[2-[4-(dimethylamino)-6-[2-(5-methylthiophen-2-yl)ethylimino]-2,5-dihydro-1H-1,3,5-triazin-2-yl]ethyl]-2-N,2-N,4-trimethyl-6-N-[2-(5-methylthiophen-2-yl)ethyl]-1,4-dihydro-1,3,5-triazine-2,6-diamine
• SMILES: Cc1ccc(CC/N=C2/NC(N(C)C)=NC(CCN(CCc3ccc(C)s3)C3=NC(C)N=C(N(C)C)N3)N2)s1
• InChI: InChI=1S/C27H42N10S2/c1-18-8-10-21(38-18)12-15-28-24-31-23(32-26(33-24)36(6)7)14-17-37(16-13-22-11-9-19(2)39-22)27-30-20(3)29-25(34-27)35(4)5/h8-11,20,23H,12-17H2,1-7H3,(H,29,30,34)(H2,28,31,32,33)
• InChIKey: ZLEWBPIUSTZXSP-UHFFFAOYSA-N
• XLogP: 2.92
• TPSA: 95.25 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 10
• Rotatable Bonds: 9
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	570.84
LogP ≤ 5	2.92
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'imine_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 6-N-[2-[4-(dimethylamino)-6-[2-(5-methylthiophen-2-yl)ethylimino]-2,5-dihydro-1H-1,3,5-triazin-2-yl]ethyl]-2-N,2-N,4-trimethyl-6-N-[2-(5-methylthiophen-2-yl)ethyl]-1,4-dihydro-1,3,5-triazine-2,6-diamine?

The IUPAC name of 6-N-[2-[4-(dimethylamino)-6-[2-(5-methylthiophen-2-yl)ethylimino]-2,5-dihydro-1H-1,3,5-triazin-2-yl]ethyl]-2-N,2-N,4-trimethyl-6-N-[2-(5-methylthiophen-2-yl)ethyl]-1,4-dihydro-1,3,5-triazine-2,6-diamine (CID 137229039) is 6-N-[2-[4-(dimethylamino)-6-[2-(5-methylthiophen-2-yl)ethylimino]-2,5-dihydro-1H-1,3,5-triazin-2-yl]ethyl]-2-N,2-N,4-trimethyl-6-N-[2-(5-methylthiophen-2-yl)ethyl]-1,4-dihydro-1,3,5-triazine-2,6-diamine.

What is the SMILES notation for 6-N-[2-[4-(dimethylamino)-6-[2-(5-methylthiophen-2-yl)ethylimino]-2,5-dihydro-1H-1,3,5-triazin-2-yl]ethyl]-2-N,2-N,4-trimethyl-6-N-[2-(5-methylthiophen-2-yl)ethyl]-1,4-dihydro-1,3,5-triazine-2,6-diamine?

The canonical SMILES for 6-N-[2-[4-(dimethylamino)-6-[2-(5-methylthiophen-2-yl)ethylimino]-2,5-dihydro-1H-1,3,5-triazin-2-yl]ethyl]-2-N,2-N,4-trimethyl-6-N-[2-(5-methylthiophen-2-yl)ethyl]-1,4-dihydro-1,3,5-triazine-2,6-diamine is Cc1ccc(CC/N=C2/NC(N(C)C)=NC(CCN(CCc3ccc(C)s3)C3=NC(C)N=C(N(C)C)N3)N2)s1.

What is the InChIKey of 6-N-[2-[4-(dimethylamino)-6-[2-(5-methylthiophen-2-yl)ethylimino]-2,5-dihydro-1H-1,3,5-triazin-2-yl]ethyl]-2-N,2-N,4-trimethyl-6-N-[2-(5-methylthiophen-2-yl)ethyl]-1,4-dihydro-1,3,5-triazine-2,6-diamine?

The InChIKey is ZLEWBPIUSTZXSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H42N10S2/c1-18-8-10-21(38-18)12-15-28-24-31-23(32-26(33-24)36(6)7)14-17-37(16-13-22-11-9-19(2)39-22)27-30-20(3)29-25(34-27)35(4)5/h8-11,20,23H,12-17H2,1-7H3,(H,29,30,34)(H2,28,31,32,33).

What are the key properties of 6-N-[2-[4-(dimethylamino)-6-[2-(5-methylthiophen-2-yl)ethylimino]-2,5-dihydro-1H-1,3,5-triazin-2-yl]ethyl]-2-N,2-N,4-trimethyl-6-N-[2-(5-methylthiophen-2-yl)ethyl]-1,4-dihydro-1,3,5-triazine-2,6-diamine?

6-N-[2-[4-(dimethylamino)-6-[2-(5-methylthiophen-2-yl)ethylimino]-2,5-dihydro-1H-1,3,5-triazin-2-yl]ethyl]-2-N,2-N,4-trimethyl-6-N-[2-(5-methylthiophen-2-yl)ethyl]-1,4-dihydro-1,3,5-triazine-2,6-diamine has a molecular weight of 570.84 g/mol, XLogP of 2.92, 9 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 6-N-[2-[4-(dimethylamino)-6-[2-(5-methylthiophen-2-yl)ethylimino]-2,5-dihydro-1H-1,3,5-triazin-2-yl]ethyl]-2-N,2-N,4-trimethyl-6-N-[2-(5-methylthiophen-2-yl)ethyl]-1,4-dihydro-1,3,5-triazine-2,6-diamine is sourced from PubChem (CID 137229039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).