2-N,2-N,6-N,4-tetramethyl-6-N-[[5-[2-[methyl-[4-methyl-6-[methyl-[[5-[2-[methyl-[4-methyl-6-[methyl-[(5-methyl-1H-pyrrol-2-yl)methyl]amino]-1,4-dihydro-1,3,5-triazin-2-yl]amino]ethyl]furan-2-yl]methyl]amino]-1,4-dihydro-1,3,5-triazin-2-yl]amino]ethyl]thiophen-2-yl]methyl]-1,4-dihydro-1,3,5-triazine-2,6-diamine

C39H60N16OS — CID 123344361

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

2-N,2-N,6-N,4-tetramethyl-6-N-[[5-[2-[methyl-[4-methyl-6-[methyl-[[5-[2-[methyl-[4-methyl-6-[methyl-[(5-methyl-1H-pyrrol-2-yl)methyl]amino]-1,4-dihydro-1,3,5-triazin-2-yl]amino]ethyl]furan-2-yl]methyl]amino]-1,4-dihydro-1,3,5-triazin-2-yl]amino]ethyl]thiophen-2-yl]methyl]-1,4-dihydro-1,3,5-triazine-2,6-diamine (PubChem CID 123344361) has the molecular formula C39H60N16OS and a molecular weight of 801.09 g/mol. Its IUPAC name is 2-N,2-N,6-N,4-tetramethyl-6-N-[[5-[2-[methyl-[4-methyl-6-[methyl-[[5-[2-[methyl-[4-methyl-6-[methyl-[(5-methyl-1H-pyrrol-2-yl)methyl]amino]-1,4-dihydro-1,3,5-triazin-2-yl]amino]ethyl]furan-2-yl]methyl]amino]-1,4-dihydro-1,3,5-triazin-2-yl]amino]ethyl]thiophen-2-yl]methyl]-1,4-dihydro-1,3,5-triazine-2,6-diamine.

Molecular Properties

• Compound Name: 2-N,2-N,6-N,4-tetramethyl-6-N-[[5-[2-[methyl-[4-methyl-6-[methyl-[[5-[2-[methyl-[4-methyl-6-[methyl-[(5-methyl-1H-pyrrol-2-yl)methyl]amino]-1,4-dihydro-1,3,5-triazin-2-yl]amino]ethyl]furan-2-yl]methyl]amino]-1,4-dihydro-1,3,5-triazin-2-yl]amino]ethyl]thiophen-2-yl]methyl]-1,4-dihydro-1,3,5-triazine-2,6-diamine
• PubChem CID: 123344361
• Molecular Formula: C39H60N16OS
• Molecular Weight: 801.09 g/mol
• Exact Mass: 800.49
• IUPAC Name: 2-N,2-N,6-N,4-tetramethyl-6-N-[[5-[2-[methyl-[4-methyl-6-[methyl-[[5-[2-[methyl-[4-methyl-6-[methyl-[(5-methyl-1H-pyrrol-2-yl)methyl]amino]-1,4-dihydro-1,3,5-triazin-2-yl]amino]ethyl]furan-2-yl]methyl]amino]-1,4-dihydro-1,3,5-triazin-2-yl]amino]ethyl]thiophen-2-yl]methyl]-1,4-dihydro-1,3,5-triazine-2,6-diamine
• SMILES: Cc1ccc(CN(C)C2=NC(C)N=C(N(C)CCc3ccc(CN(C)C4=NC(C)N=C(N(C)CCc5ccc(CN(C)C6=NC(C)N=C(N(C)C)N6)s5)N4)o3)N2)[nH]1
• InChI: InChI=1S/C39H60N16OS/c1-25-12-13-29(40-25)22-53(9)38-45-27(3)42-35(48-38)51(7)20-18-30-14-15-31(56-30)23-54(10)39-46-28(4)43-36(49-39)52(8)21-19-32-16-17-33(57-32)24-55(11)37-44-26(2)41-34(47-37)50(5)6/h12-17,26-28,40H,18-24H2,1-11H3,(H,41,44,47)(H,42,45,48)(H,43,46,49)
• InChIKey: QLGNDSMFFCSJOD-UHFFFAOYSA-N
• XLogP: 3.17
• TPSA: 158.62 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 17
• Rotatable Bonds: 12
• Heavy Atoms: 57
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	801.09
LogP ≤ 5	3.17
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	17

Frequently Asked Questions

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

The IUPAC name of 2-N,2-N,6-N,4-tetramethyl-6-N-[[5-[2-[methyl-[4-methyl-6-[methyl-[[5-[2-[methyl-[4-methyl-6-[methyl-[(5-methyl-1H-pyrrol-2-yl)methyl]amino]-1,4-dihydro-1,3,5-triazin-2-yl]amino]ethyl]furan-2-yl]methyl]amino]-1,4-dihydro-1,3,5-triazin-2-yl]amino]ethyl]thiophen-2-yl]methyl]-1,4-dihydro-1,3,5-triazine-2,6-diamine (CID 123344361) is 2-N,2-N,6-N,4-tetramethyl-6-N-[[5-[2-[methyl-[4-methyl-6-[methyl-[[5-[2-[methyl-[4-methyl-6-[methyl-[(5-methyl-1H-pyrrol-2-yl)methyl]amino]-1,4-dihydro-1,3,5-triazin-2-yl]amino]ethyl]furan-2-yl]methyl]amino]-1,4-dihydro-1,3,5-triazin-2-yl]amino]ethyl]thiophen-2-yl]methyl]-1,4-dihydro-1,3,5-triazine-2,6-diamine.

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

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

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

The InChIKey is QLGNDSMFFCSJOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H60N16OS/c1-25-12-13-29(40-25)22-53(9)38-45-27(3)42-35(48-38)51(7)20-18-30-14-15-31(56-30)23-54(10)39-46-28(4)43-36(49-39)52(8)21-19-32-16-17-33(57-32)24-55(11)37-44-26(2)41-34(47-37)50(5)6/h12-17,26-28,40H,18-24H2,1-11H3,(H,41,44,47)(H,42,45,48)(H,43,46,49).

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

2-N,2-N,6-N,4-tetramethyl-6-N-[[5-[2-[methyl-[4-methyl-6-[methyl-[[5-[2-[methyl-[4-methyl-6-[methyl-[(5-methyl-1H-pyrrol-2-yl)methyl]amino]-1,4-dihydro-1,3,5-triazin-2-yl]amino]ethyl]furan-2-yl]methyl]amino]-1,4-dihydro-1,3,5-triazin-2-yl]amino]ethyl]thiophen-2-yl]methyl]-1,4-dihydro-1,3,5-triazine-2,6-diamine has a molecular weight of 801.09 g/mol, XLogP of 3.17, 12 rotatable bonds, 4 hydrogen bond donors, and 17 hydrogen bond acceptors.

Where does this data come from?

All data for 2-N,2-N,6-N,4-tetramethyl-6-N-[[5-[2-[methyl-[4-methyl-6-[methyl-[[5-[2-[methyl-[4-methyl-6-[methyl-[(5-methyl-1H-pyrrol-2-yl)methyl]amino]-1,4-dihydro-1,3,5-triazin-2-yl]amino]ethyl]furan-2-yl]methyl]amino]-1,4-dihydro-1,3,5-triazin-2-yl]amino]ethyl]thiophen-2-yl]methyl]-1,4-dihydro-1,3,5-triazine-2,6-diamine is sourced from PubChem (CID 123344361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).