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

C36H54N16OS — CID 137157798

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

N,2-dimethyl-6-methylimino-N-[[5-[2-[[2-methyl-4-[methyl-[[5-[2-[[2-methyl-4-[methyl-[(5-methyl-1H-pyrrol-2-yl)methyl]amino]-2,5-dihydro-1H-1,3,5-triazin-6-ylidene]amino]ethyl]furan-2-yl]methyl]amino]-2,5-dihydro-1H-1,3,5-triazin-6-ylidene]amino]ethyl]thiophen-2-yl]methyl]-2,5-dihydro-1H-1,3,5-triazin-4-amine (PubChem CID 137157798) has the molecular formula C36H54N16OS and a molecular weight of 759.01 g/mol. Its IUPAC name is N,2-dimethyl-6-methylimino-N-[[5-[2-[[2-methyl-4-[methyl-[[5-[2-[[2-methyl-4-[methyl-[(5-methyl-1H-pyrrol-2-yl)methyl]amino]-2,5-dihydro-1H-1,3,5-triazin-6-ylidene]amino]ethyl]furan-2-yl]methyl]amino]-2,5-dihydro-1H-1,3,5-triazin-6-ylidene]amino]ethyl]thiophen-2-yl]methyl]-2,5-dihydro-1H-1,3,5-triazin-4-amine.

Molecular Properties

• Compound Name: N,2-dimethyl-6-methylimino-N-[[5-[2-[[2-methyl-4-[methyl-[[5-[2-[[2-methyl-4-[methyl-[(5-methyl-1H-pyrrol-2-yl)methyl]amino]-2,5-dihydro-1H-1,3,5-triazin-6-ylidene]amino]ethyl]furan-2-yl]methyl]amino]-2,5-dihydro-1H-1,3,5-triazin-6-ylidene]amino]ethyl]thiophen-2-yl]methyl]-2,5-dihydro-1H-1,3,5-triazin-4-amine
• PubChem CID: 137157798
• Molecular Formula: C36H54N16OS
• Molecular Weight: 759.01 g/mol
• Exact Mass: 758.44
• IUPAC Name: N,2-dimethyl-6-methylimino-N-[[5-[2-[[2-methyl-4-[methyl-[[5-[2-[[2-methyl-4-[methyl-[(5-methyl-1H-pyrrol-2-yl)methyl]amino]-2,5-dihydro-1H-1,3,5-triazin-6-ylidene]amino]ethyl]furan-2-yl]methyl]amino]-2,5-dihydro-1H-1,3,5-triazin-6-ylidene]amino]ethyl]thiophen-2-yl]methyl]-2,5-dihydro-1H-1,3,5-triazin-4-amine
• SMILES: C/N=C1/NC(N(C)Cc2ccc(CC/N=C3/NC(N(C)Cc4ccc(CC/N=C5/NC(N(C)Cc6ccc(C)[nH]6)=NC(C)N5)o4)=NC(C)N3)s2)=NC(C)N1
• InChI: InChI=1S/C36H54N16OS/c1-22-9-10-26(40-22)19-50(6)35-45-24(3)42-32(48-35)38-17-15-27-11-12-28(53-27)20-51(7)36-46-25(4)43-33(49-36)39-18-16-29-13-14-30(54-29)21-52(8)34-44-23(2)41-31(37-5)47-34/h9-14,23-25,40H,15-21H2,1-8H3,(H2,37,41,44,47)(H2,38,42,45,48)(H2,39,43,46,49)
• InChIKey: VIWJRDQHZQLLRM-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,2-dimethyl-6-methylimino-N-[[5-[2-[[2-methyl-4-[methyl-[[5-[2-[[2-methyl-4-[methyl-[(5-methyl-1H-pyrrol-2-yl)methyl]amino]-2,5-dihydro-1H-1,3,5-triazin-6-ylidene]amino]ethyl]furan-2-yl]methyl]amino]-2,5-dihydro-1H-1,3,5-triazin-6-ylidene]amino]ethyl]thiophen-2-yl]methyl]-2,5-dihydro-1H-1,3,5-triazin-4-amine?

The IUPAC name of N,2-dimethyl-6-methylimino-N-[[5-[2-[[2-methyl-4-[methyl-[[5-[2-[[2-methyl-4-[methyl-[(5-methyl-1H-pyrrol-2-yl)methyl]amino]-2,5-dihydro-1H-1,3,5-triazin-6-ylidene]amino]ethyl]furan-2-yl]methyl]amino]-2,5-dihydro-1H-1,3,5-triazin-6-ylidene]amino]ethyl]thiophen-2-yl]methyl]-2,5-dihydro-1H-1,3,5-triazin-4-amine (CID 137157798) is N,2-dimethyl-6-methylimino-N-[[5-[2-[[2-methyl-4-[methyl-[[5-[2-[[2-methyl-4-[methyl-[(5-methyl-1H-pyrrol-2-yl)methyl]amino]-2,5-dihydro-1H-1,3,5-triazin-6-ylidene]amino]ethyl]furan-2-yl]methyl]amino]-2,5-dihydro-1H-1,3,5-triazin-6-ylidene]amino]ethyl]thiophen-2-yl]methyl]-2,5-dihydro-1H-1,3,5-triazin-4-amine.

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

The canonical SMILES for N,2-dimethyl-6-methylimino-N-[[5-[2-[[2-methyl-4-[methyl-[[5-[2-[[2-methyl-4-[methyl-[(5-methyl-1H-pyrrol-2-yl)methyl]amino]-2,5-dihydro-1H-1,3,5-triazin-6-ylidene]amino]ethyl]furan-2-yl]methyl]amino]-2,5-dihydro-1H-1,3,5-triazin-6-ylidene]amino]ethyl]thiophen-2-yl]methyl]-2,5-dihydro-1H-1,3,5-triazin-4-amine is C/N=C1/NC(N(C)Cc2ccc(CC/N=C3/NC(N(C)Cc4ccc(CC/N=C5/NC(N(C)Cc6ccc(C)[nH]6)=NC(C)N5)o4)=NC(C)N3)s2)=NC(C)N1.

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

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

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

N,2-dimethyl-6-methylimino-N-[[5-[2-[[2-methyl-4-[methyl-[[5-[2-[[2-methyl-4-[methyl-[(5-methyl-1H-pyrrol-2-yl)methyl]amino]-2,5-dihydro-1H-1,3,5-triazin-6-ylidene]amino]ethyl]furan-2-yl]methyl]amino]-2,5-dihydro-1H-1,3,5-triazin-6-ylidene]amino]ethyl]thiophen-2-yl]methyl]-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,2-dimethyl-6-methylimino-N-[[5-[2-[[2-methyl-4-[methyl-[[5-[2-[[2-methyl-4-[methyl-[(5-methyl-1H-pyrrol-2-yl)methyl]amino]-2,5-dihydro-1H-1,3,5-triazin-6-ylidene]amino]ethyl]furan-2-yl]methyl]amino]-2,5-dihydro-1H-1,3,5-triazin-6-ylidene]amino]ethyl]thiophen-2-yl]methyl]-2,5-dihydro-1H-1,3,5-triazin-4-amine is sourced from PubChem (CID 137157798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).