N,N,2-trimethyl-6-[[5-[2-[methyl-[2-methyl-6-[[5-[2-[methyl-[2-methyl-6-[(5-methyl-1H-pyrrol-2-yl)methylimino]-2,5-dihydro-1H-1,3,5-triazin-4-yl]amino]ethyl]furan-2-yl]methylimino]-2,5-dihydro-1H-1,3,5-triazin-4-yl]amino]ethyl]thiophen-2-yl]methylimino]-2,5-dihydro-1H-1,3,5-triazin-4-amine

C36H54N16OS — CID 137153950

About N,N,2-trimethyl-6-[[5-[2-[methyl-[2-methyl-6-[[5-[2-[methyl-[2-methyl-6-[(5-methyl-1H-pyrrol-2-yl)methylimino]-2,5-dihydro-1H-1,3,5-triazin-4-yl]amino]ethyl]furan-2-yl]methylimino]-2,5-dihydro-1H-1,3,5-triazin-4-yl]amino]ethyl]thiophen-2-yl]methylimino]-2,5-dihydro-1H-1,3,5-triazin-4-amine

N,N,2-trimethyl-6-[[5-[2-[methyl-[2-methyl-6-[[5-[2-[methyl-[2-methyl-6-[(5-methyl-1H-pyrrol-2-yl)methylimino]-2,5-dihydro-1H-1,3,5-triazin-4-yl]amino]ethyl]furan-2-yl]methylimino]-2,5-dihydro-1H-1,3,5-triazin-4-yl]amino]ethyl]thiophen-2-yl]methylimino]-2,5-dihydro-1H-1,3,5-triazin-4-amine (PubChem CID 137153950) has the molecular formula C36H54N16OS and a molecular weight of 759.01 g/mol. Its IUPAC name is N,N,2-trimethyl-6-[[5-[2-[methyl-[2-methyl-6-[[5-[2-[methyl-[2-methyl-6-[(5-methyl-1H-pyrrol-2-yl)methylimino]-2,5-dihydro-1H-1,3,5-triazin-4-yl]amino]ethyl]furan-2-yl]methylimino]-2,5-dihydro-1H-1,3,5-triazin-4-yl]amino]ethyl]thiophen-2-yl]methylimino]-2,5-dihydro-1H-1,3,5-triazin-4-amine.

Molecular Properties

• Compound Name: N,N,2-trimethyl-6-[[5-[2-[methyl-[2-methyl-6-[[5-[2-[methyl-[2-methyl-6-[(5-methyl-1H-pyrrol-2-yl)methylimino]-2,5-dihydro-1H-1,3,5-triazin-4-yl]amino]ethyl]furan-2-yl]methylimino]-2,5-dihydro-1H-1,3,5-triazin-4-yl]amino]ethyl]thiophen-2-yl]methylimino]-2,5-dihydro-1H-1,3,5-triazin-4-amine
• PubChem CID: 137153950
• Molecular Formula: C36H54N16OS
• Molecular Weight: 759.01 g/mol
• Exact Mass: 758.44
• IUPAC Name: N,N,2-trimethyl-6-[[5-[2-[methyl-[2-methyl-6-[[5-[2-[methyl-[2-methyl-6-[(5-methyl-1H-pyrrol-2-yl)methylimino]-2,5-dihydro-1H-1,3,5-triazin-4-yl]amino]ethyl]furan-2-yl]methylimino]-2,5-dihydro-1H-1,3,5-triazin-4-yl]amino]ethyl]thiophen-2-yl]methylimino]-2,5-dihydro-1H-1,3,5-triazin-4-amine
• SMILES: Cc1ccc(C/N=C2/NC(N(C)CCc3ccc(C/N=C4/NC(N(C)CCc5ccc(C/N=C6/NC(N(C)C)=NC(C)N6)s5)=NC(C)N4)o3)=NC(C)N2)[nH]1
• InChI: InChI=1S/C36H54N16OS/c1-22-9-10-26(40-22)19-37-31-42-24(3)45-35(48-31)51(7)17-15-27-11-12-28(53-27)20-38-32-43-25(4)46-36(49-32)52(8)18-16-29-13-14-30(54-29)21-39-33-41-23(2)44-34(47-33)50(5)6/h9-14,23-25,40H,15-21H2,1-8H3,(H2,37,42,45,48)(H2,38,43,46,49)(H2,39,41,44,47)
• InChIKey: SCQANGQDKWEIDO-UHFFFAOYSA-N
• XLogP: 2.14
• TPSA: 184.99 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 11
• Rotatable Bonds: 12
• Heavy Atoms: 54
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	759.01
LogP ≤ 5	2.14
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	11

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N,N,2-trimethyl-6-[[5-[2-[methyl-[2-methyl-6-[[5-[2-[methyl-[2-methyl-6-[(5-methyl-1H-pyrrol-2-yl)methylimino]-2,5-dihydro-1H-1,3,5-triazin-4-yl]amino]ethyl]furan-2-yl]methylimino]-2,5-dihydro-1H-1,3,5-triazin-4-yl]amino]ethyl]thiophen-2-yl]methylimino]-2,5-dihydro-1H-1,3,5-triazin-4-amine?

The IUPAC name of N,N,2-trimethyl-6-[[5-[2-[methyl-[2-methyl-6-[[5-[2-[methyl-[2-methyl-6-[(5-methyl-1H-pyrrol-2-yl)methylimino]-2,5-dihydro-1H-1,3,5-triazin-4-yl]amino]ethyl]furan-2-yl]methylimino]-2,5-dihydro-1H-1,3,5-triazin-4-yl]amino]ethyl]thiophen-2-yl]methylimino]-2,5-dihydro-1H-1,3,5-triazin-4-amine (CID 137153950) is N,N,2-trimethyl-6-[[5-[2-[methyl-[2-methyl-6-[[5-[2-[methyl-[2-methyl-6-[(5-methyl-1H-pyrrol-2-yl)methylimino]-2,5-dihydro-1H-1,3,5-triazin-4-yl]amino]ethyl]furan-2-yl]methylimino]-2,5-dihydro-1H-1,3,5-triazin-4-yl]amino]ethyl]thiophen-2-yl]methylimino]-2,5-dihydro-1H-1,3,5-triazin-4-amine.

What is the SMILES notation for N,N,2-trimethyl-6-[[5-[2-[methyl-[2-methyl-6-[[5-[2-[methyl-[2-methyl-6-[(5-methyl-1H-pyrrol-2-yl)methylimino]-2,5-dihydro-1H-1,3,5-triazin-4-yl]amino]ethyl]furan-2-yl]methylimino]-2,5-dihydro-1H-1,3,5-triazin-4-yl]amino]ethyl]thiophen-2-yl]methylimino]-2,5-dihydro-1H-1,3,5-triazin-4-amine?

The canonical SMILES for N,N,2-trimethyl-6-[[5-[2-[methyl-[2-methyl-6-[[5-[2-[methyl-[2-methyl-6-[(5-methyl-1H-pyrrol-2-yl)methylimino]-2,5-dihydro-1H-1,3,5-triazin-4-yl]amino]ethyl]furan-2-yl]methylimino]-2,5-dihydro-1H-1,3,5-triazin-4-yl]amino]ethyl]thiophen-2-yl]methylimino]-2,5-dihydro-1H-1,3,5-triazin-4-amine is Cc1ccc(C/N=C2/NC(N(C)CCc3ccc(C/N=C4/NC(N(C)CCc5ccc(C/N=C6/NC(N(C)C)=NC(C)N6)s5)=NC(C)N4)o3)=NC(C)N2)[nH]1.

What is the InChIKey of N,N,2-trimethyl-6-[[5-[2-[methyl-[2-methyl-6-[[5-[2-[methyl-[2-methyl-6-[(5-methyl-1H-pyrrol-2-yl)methylimino]-2,5-dihydro-1H-1,3,5-triazin-4-yl]amino]ethyl]furan-2-yl]methylimino]-2,5-dihydro-1H-1,3,5-triazin-4-yl]amino]ethyl]thiophen-2-yl]methylimino]-2,5-dihydro-1H-1,3,5-triazin-4-amine?

The InChIKey is SCQANGQDKWEIDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H54N16OS/c1-22-9-10-26(40-22)19-37-31-42-24(3)45-35(48-31)51(7)17-15-27-11-12-28(53-27)20-38-32-43-25(4)46-36(49-32)52(8)18-16-29-13-14-30(54-29)21-39-33-41-23(2)44-34(47-33)50(5)6/h9-14,23-25,40H,15-21H2,1-8H3,(H2,37,42,45,48)(H2,38,43,46,49)(H2,39,41,44,47).

What are the key properties of N,N,2-trimethyl-6-[[5-[2-[methyl-[2-methyl-6-[[5-[2-[methyl-[2-methyl-6-[(5-methyl-1H-pyrrol-2-yl)methylimino]-2,5-dihydro-1H-1,3,5-triazin-4-yl]amino]ethyl]furan-2-yl]methylimino]-2,5-dihydro-1H-1,3,5-triazin-4-yl]amino]ethyl]thiophen-2-yl]methylimino]-2,5-dihydro-1H-1,3,5-triazin-4-amine?

N,N,2-trimethyl-6-[[5-[2-[methyl-[2-methyl-6-[[5-[2-[methyl-[2-methyl-6-[(5-methyl-1H-pyrrol-2-yl)methylimino]-2,5-dihydro-1H-1,3,5-triazin-4-yl]amino]ethyl]furan-2-yl]methylimino]-2,5-dihydro-1H-1,3,5-triazin-4-yl]amino]ethyl]thiophen-2-yl]methylimino]-2,5-dihydro-1H-1,3,5-triazin-4-amine has a molecular weight of 759.01 g/mol, XLogP of 2.14, 12 rotatable bonds, 7 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for N,N,2-trimethyl-6-[[5-[2-[methyl-[2-methyl-6-[[5-[2-[methyl-[2-methyl-6-[(5-methyl-1H-pyrrol-2-yl)methylimino]-2,5-dihydro-1H-1,3,5-triazin-4-yl]amino]ethyl]furan-2-yl]methylimino]-2,5-dihydro-1H-1,3,5-triazin-4-yl]amino]ethyl]thiophen-2-yl]methylimino]-2,5-dihydro-1H-1,3,5-triazin-4-amine is sourced from PubChem (CID 137153950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).