2-[[4-(benzylamino)-6-[[3-(furan-2-yl)-2H-pyrrol-5-yl]amino]-1,3,5-triazin-2-yl]amino]ethanol;4-N-benzyl-6-N-butyl-2-N-(2H-pyrrol-5-yl)-1,3,5-triazine-2,4,6-triamine;6-N-benzyl-2-N,2-N-diethyl-4-N-[3-(furan-2-yl)-2H-pyrrol-5-yl]-1,3,5-triazine-2,4,6-triamine;4-N-benzyl-6-N-[2-(dimethylamino)ethyl]-2-N-[3-(furan-2-yl)-2H-pyrrol-5-yl]-1,3,5-triazine-2,4,6-triamine;6-N-benzyl-4-N-[3-(furan-2-yl)-2H-pyrrol-5-yl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4,6-triamine;furan

C106H120N36O6 — CID 157073445

About 2-[[4-(benzylamino)-6-[[3-(furan-2-yl)-2H-pyrrol-5-yl]amino]-1,3,5-triazin-2-yl]amino]ethanol;4-N-benzyl-6-N-butyl-2-N-(2H-pyrrol-5-yl)-1,3,5-triazine-2,4,6-triamine;6-N-benzyl-2-N,2-N-diethyl-4-N-[3-(furan-2-yl)-2H-pyrrol-5-yl]-1,3,5-triazine-2,4,6-triamine;4-N-benzyl-6-N-[2-(dimethylamino)ethyl]-2-N-[3-(furan-2-yl)-2H-pyrrol-5-yl]-1,3,5-triazine-2,4,6-triamine;6-N-benzyl-4-N-[3-(furan-2-yl)-2H-pyrrol-5-yl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4,6-triamine;furan

2-[[4-(benzylamino)-6-[[3-(furan-2-yl)-2H-pyrrol-5-yl]amino]-1,3,5-triazin-2-yl]amino]ethanol;4-N-benzyl-6-N-butyl-2-N-(2H-pyrrol-5-yl)-1,3,5-triazine-2,4,6-triamine;6-N-benzyl-2-N,2-N-diethyl-4-N-[3-(furan-2-yl)-2H-pyrrol-5-yl]-1,3,5-triazine-2,4,6-triamine;4-N-benzyl-6-N-[2-(dimethylamino)ethyl]-2-N-[3-(furan-2-yl)-2H-pyrrol-5-yl]-1,3,5-triazine-2,4,6-triamine;6-N-benzyl-4-N-[3-(furan-2-yl)-2H-pyrrol-5-yl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4,6-triamine;furan (PubChem CID 157073445) has the molecular formula C106H120N36O6 and a molecular weight of 1994.37 g/mol. Its IUPAC name is 2-[[4-(benzylamino)-6-[[3-(furan-2-yl)-2H-pyrrol-5-yl]amino]-1,3,5-triazin-2-yl]amino]ethanol;4-N-benzyl-6-N-butyl-2-N-(2H-pyrrol-5-yl)-1,3,5-triazine-2,4,6-triamine;6-N-benzyl-2-N,2-N-diethyl-4-N-[3-(furan-2-yl)-2H-pyrrol-5-yl]-1,3,5-triazine-2,4,6-triamine;4-N-benzyl-6-N-[2-(dimethylamino)ethyl]-2-N-[3-(furan-2-yl)-2H-pyrrol-5-yl]-1,3,5-triazine-2,4,6-triamine;6-N-benzyl-4-N-[3-(furan-2-yl)-2H-pyrrol-5-yl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4,6-triamine;furan.

Molecular Properties

• Compound Name: 2-[[4-(benzylamino)-6-[[3-(furan-2-yl)-2H-pyrrol-5-yl]amino]-1,3,5-triazin-2-yl]amino]ethanol;4-N-benzyl-6-N-butyl-2-N-(2H-pyrrol-5-yl)-1,3,5-triazine-2,4,6-triamine;6-N-benzyl-2-N,2-N-diethyl-4-N-[3-(furan-2-yl)-2H-pyrrol-5-yl]-1,3,5-triazine-2,4,6-triamine;4-N-benzyl-6-N-[2-(dimethylamino)ethyl]-2-N-[3-(furan-2-yl)-2H-pyrrol-5-yl]-1,3,5-triazine-2,4,6-triamine;6-N-benzyl-4-N-[3-(furan-2-yl)-2H-pyrrol-5-yl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4,6-triamine;furan
• PubChem CID: 157073445
• Molecular Formula: C106H120N36O6
• Molecular Weight: 1994.37 g/mol
• Exact Mass: 1993.02
• IUPAC Name: 2-[[4-(benzylamino)-6-[[3-(furan-2-yl)-2H-pyrrol-5-yl]amino]-1,3,5-triazin-2-yl]amino]ethanol;4-N-benzyl-6-N-butyl-2-N-(2H-pyrrol-5-yl)-1,3,5-triazine-2,4,6-triamine;6-N-benzyl-2-N,2-N-diethyl-4-N-[3-(furan-2-yl)-2H-pyrrol-5-yl]-1,3,5-triazine-2,4,6-triamine;4-N-benzyl-6-N-[2-(dimethylamino)ethyl]-2-N-[3-(furan-2-yl)-2H-pyrrol-5-yl]-1,3,5-triazine-2,4,6-triamine;6-N-benzyl-4-N-[3-(furan-2-yl)-2H-pyrrol-5-yl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4,6-triamine;furan
• SMILES: CCCCNc1nc(NCc2ccccc2)nc(NC2=NCC=C2)n1.CCN(CC)c1nc(NCc2ccccc2)nc(NC2=NCC(c3ccco3)=C2)n1.CN(C)CCNc1nc(NCc2ccccc2)nc(NC2=NCC(c3ccco3)=C2)n1.CN(C)c1nc(NCc2ccccc2)nc(NC2=NCC(c3ccco3)=C2)n1.OCCNc1nc(NCc2ccccc2)nc(NC2=NCC(c3ccco3)=C2)n1.c1ccoc1
• InChI: InChI=1S/C22H26N8O.C22H25N7O.C20H21N7O2.C20H21N7O.C18H23N7.C4H4O/c1-30(2)11-10-23-20-27-21(25-14-16-7-4-3-5-8-16)29-22(28-20)26-19-13-17(15-24-19)18-9-6-12-31-18;1-3-29(4-2)22-27-20(24-14-16-9-6-5-7-10-16)26-21(28-22)25-19-13-17(15-23-19)18-11-8-12-30-18;28-9-8-21-18-25-19(23-12-14-5-2-1-3-6-14)27-20(26-18)24-17-11-15(13-22-17)16-7-4-10-29-16;1-27(2)20-25-18(22-12-14-7-4-3-5-8-14)24-19(26-20)23-17-11-15(13-21-17)16-9-6-10-28-16;1-2-3-11-20-16-23-17(21-13-14-8-5-4-6-9-14)25-18(24-16)22-15-10-7-12-19-15;1-2-4-5-3-1/h3-9,12-13H,10-11,14-15H2,1-2H3,(H3,23,24,25,26,27,28,29);5-13H,3-4,14-15H2,1-2H3,(H2,23,24,25,26,27,28);1-7,10-11,28H,8-9,12-13H2,(H3,21,22,23,24,25,26,27);3-11H,12-13H2,1-2H3,(H2,21,22,23,24,25,26);4-10H,2-3,11-13H2,1H3,(H3,19,20,21,22,23,24,25);1-4H
• InChIKey: ACRSVHMJIGXAJJ-UHFFFAOYSA-N
• XLogP: 16.58
• TPSA: 507.19 Ų
• H-Bond Donors: 14
• H-Bond Acceptors: 42
• Rotatable Bonds: 39
• Heavy Atoms: 148
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1994.37
LogP ≤ 5	16.58
H-Bond Donors ≤ 5	14
H-Bond Acceptors ≤ 10	42

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-[[4-(benzylamino)-6-[[3-(furan-2-yl)-2H-pyrrol-5-yl]amino]-1,3,5-triazin-2-yl]amino]ethanol;4-N-benzyl-6-N-butyl-2-N-(2H-pyrrol-5-yl)-1,3,5-triazine-2,4,6-triamine;6-N-benzyl-2-N,2-N-diethyl-4-N-[3-(furan-2-yl)-2H-pyrrol-5-yl]-1,3,5-triazine-2,4,6-triamine;4-N-benzyl-6-N-[2-(dimethylamino)ethyl]-2-N-[3-(furan-2-yl)-2H-pyrrol-5-yl]-1,3,5-triazine-2,4,6-triamine;6-N-benzyl-4-N-[3-(furan-2-yl)-2H-pyrrol-5-yl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4,6-triamine;furan?

The IUPAC name of 2-[[4-(benzylamino)-6-[[3-(furan-2-yl)-2H-pyrrol-5-yl]amino]-1,3,5-triazin-2-yl]amino]ethanol;4-N-benzyl-6-N-butyl-2-N-(2H-pyrrol-5-yl)-1,3,5-triazine-2,4,6-triamine;6-N-benzyl-2-N,2-N-diethyl-4-N-[3-(furan-2-yl)-2H-pyrrol-5-yl]-1,3,5-triazine-2,4,6-triamine;4-N-benzyl-6-N-[2-(dimethylamino)ethyl]-2-N-[3-(furan-2-yl)-2H-pyrrol-5-yl]-1,3,5-triazine-2,4,6-triamine;6-N-benzyl-4-N-[3-(furan-2-yl)-2H-pyrrol-5-yl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4,6-triamine;furan (CID 157073445) is 2-[[4-(benzylamino)-6-[[3-(furan-2-yl)-2H-pyrrol-5-yl]amino]-1,3,5-triazin-2-yl]amino]ethanol;4-N-benzyl-6-N-butyl-2-N-(2H-pyrrol-5-yl)-1,3,5-triazine-2,4,6-triamine;6-N-benzyl-2-N,2-N-diethyl-4-N-[3-(furan-2-yl)-2H-pyrrol-5-yl]-1,3,5-triazine-2,4,6-triamine;4-N-benzyl-6-N-[2-(dimethylamino)ethyl]-2-N-[3-(furan-2-yl)-2H-pyrrol-5-yl]-1,3,5-triazine-2,4,6-triamine;6-N-benzyl-4-N-[3-(furan-2-yl)-2H-pyrrol-5-yl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4,6-triamine;furan.

What is the SMILES notation for 2-[[4-(benzylamino)-6-[[3-(furan-2-yl)-2H-pyrrol-5-yl]amino]-1,3,5-triazin-2-yl]amino]ethanol;4-N-benzyl-6-N-butyl-2-N-(2H-pyrrol-5-yl)-1,3,5-triazine-2,4,6-triamine;6-N-benzyl-2-N,2-N-diethyl-4-N-[3-(furan-2-yl)-2H-pyrrol-5-yl]-1,3,5-triazine-2,4,6-triamine;4-N-benzyl-6-N-[2-(dimethylamino)ethyl]-2-N-[3-(furan-2-yl)-2H-pyrrol-5-yl]-1,3,5-triazine-2,4,6-triamine;6-N-benzyl-4-N-[3-(furan-2-yl)-2H-pyrrol-5-yl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4,6-triamine;furan?

The canonical SMILES for 2-[[4-(benzylamino)-6-[[3-(furan-2-yl)-2H-pyrrol-5-yl]amino]-1,3,5-triazin-2-yl]amino]ethanol;4-N-benzyl-6-N-butyl-2-N-(2H-pyrrol-5-yl)-1,3,5-triazine-2,4,6-triamine;6-N-benzyl-2-N,2-N-diethyl-4-N-[3-(furan-2-yl)-2H-pyrrol-5-yl]-1,3,5-triazine-2,4,6-triamine;4-N-benzyl-6-N-[2-(dimethylamino)ethyl]-2-N-[3-(furan-2-yl)-2H-pyrrol-5-yl]-1,3,5-triazine-2,4,6-triamine;6-N-benzyl-4-N-[3-(furan-2-yl)-2H-pyrrol-5-yl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4,6-triamine;furan is CCCCNc1nc(NCc2ccccc2)nc(NC2=NCC=C2)n1.CCN(CC)c1nc(NCc2ccccc2)nc(NC2=NCC(c3ccco3)=C2)n1.CN(C)CCNc1nc(NCc2ccccc2)nc(NC2=NCC(c3ccco3)=C2)n1.CN(C)c1nc(NCc2ccccc2)nc(NC2=NCC(c3ccco3)=C2)n1.OCCNc1nc(NCc2ccccc2)nc(NC2=NCC(c3ccco3)=C2)n1.c1ccoc1.

What is the InChIKey of 2-[[4-(benzylamino)-6-[[3-(furan-2-yl)-2H-pyrrol-5-yl]amino]-1,3,5-triazin-2-yl]amino]ethanol;4-N-benzyl-6-N-butyl-2-N-(2H-pyrrol-5-yl)-1,3,5-triazine-2,4,6-triamine;6-N-benzyl-2-N,2-N-diethyl-4-N-[3-(furan-2-yl)-2H-pyrrol-5-yl]-1,3,5-triazine-2,4,6-triamine;4-N-benzyl-6-N-[2-(dimethylamino)ethyl]-2-N-[3-(furan-2-yl)-2H-pyrrol-5-yl]-1,3,5-triazine-2,4,6-triamine;6-N-benzyl-4-N-[3-(furan-2-yl)-2H-pyrrol-5-yl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4,6-triamine;furan?

The InChIKey is ACRSVHMJIGXAJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N8O.C22H25N7O.C20H21N7O2.C20H21N7O.C18H23N7.C4H4O/c1-30(2)11-10-23-20-27-21(25-14-16-7-4-3-5-8-16)29-22(28-20)26-19-13-17(15-24-19)18-9-6-12-31-18;1-3-29(4-2)22-27-20(24-14-16-9-6-5-7-10-16)26-21(28-22)25-19-13-17(15-23-19)18-11-8-12-30-18;28-9-8-21-18-25-19(23-12-14-5-2-1-3-6-14)27-20(26-18)24-17-11-15(13-22-17)16-7-4-10-29-16;1-27(2)20-25-18(22-12-14-7-4-3-5-8-14)24-19(26-20)23-17-11-15(13-21-17)16-9-6-10-28-16;1-2-3-11-20-16-23-17(21-13-14-8-5-4-6-9-14)25-18(24-16)22-15-10-7-12-19-15;1-2-4-5-3-1/h3-9,12-13H,10-11,14-15H2,1-2H3,(H3,23,24,25,26,27,28,29);5-13H,3-4,14-15H2,1-2H3,(H2,23,24,25,26,27,28);1-7,10-11,28H,8-9,12-13H2,(H3,21,22,23,24,25,26,27);3-11H,12-13H2,1-2H3,(H2,21,22,23,24,25,26);4-10H,2-3,11-13H2,1H3,(H3,19,20,21,22,23,24,25);1-4H.

What are the key properties of 2-[[4-(benzylamino)-6-[[3-(furan-2-yl)-2H-pyrrol-5-yl]amino]-1,3,5-triazin-2-yl]amino]ethanol;4-N-benzyl-6-N-butyl-2-N-(2H-pyrrol-5-yl)-1,3,5-triazine-2,4,6-triamine;6-N-benzyl-2-N,2-N-diethyl-4-N-[3-(furan-2-yl)-2H-pyrrol-5-yl]-1,3,5-triazine-2,4,6-triamine;4-N-benzyl-6-N-[2-(dimethylamino)ethyl]-2-N-[3-(furan-2-yl)-2H-pyrrol-5-yl]-1,3,5-triazine-2,4,6-triamine;6-N-benzyl-4-N-[3-(furan-2-yl)-2H-pyrrol-5-yl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4,6-triamine;furan?

2-[[4-(benzylamino)-6-[[3-(furan-2-yl)-2H-pyrrol-5-yl]amino]-1,3,5-triazin-2-yl]amino]ethanol;4-N-benzyl-6-N-butyl-2-N-(2H-pyrrol-5-yl)-1,3,5-triazine-2,4,6-triamine;6-N-benzyl-2-N,2-N-diethyl-4-N-[3-(furan-2-yl)-2H-pyrrol-5-yl]-1,3,5-triazine-2,4,6-triamine;4-N-benzyl-6-N-[2-(dimethylamino)ethyl]-2-N-[3-(furan-2-yl)-2H-pyrrol-5-yl]-1,3,5-triazine-2,4,6-triamine;6-N-benzyl-4-N-[3-(furan-2-yl)-2H-pyrrol-5-yl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4,6-triamine;furan has a molecular weight of 1994.37 g/mol, XLogP of 16.58, 39 rotatable bonds, 14 hydrogen bond donors, and 42 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[[4-(benzylamino)-6-[[3-(furan-2-yl)-2H-pyrrol-5-yl]amino]-1,3,5-triazin-2-yl]amino]ethanol;4-N-benzyl-6-N-butyl-2-N-(2H-pyrrol-5-yl)-1,3,5-triazine-2,4,6-triamine;6-N-benzyl-2-N,2-N-diethyl-4-N-[3-(furan-2-yl)-2H-pyrrol-5-yl]-1,3,5-triazine-2,4,6-triamine;4-N-benzyl-6-N-[2-(dimethylamino)ethyl]-2-N-[3-(furan-2-yl)-2H-pyrrol-5-yl]-1,3,5-triazine-2,4,6-triamine;6-N-benzyl-4-N-[3-(furan-2-yl)-2H-pyrrol-5-yl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4,6-triamine;furan is sourced from PubChem (CID 157073445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).