4-N-benzyl-2-N-[3-(furan-2-yl)-2H-pyrrol-5-yl]-6-(4-methylpiperazin-1-yl)-1,3,5-triazine-2,4-diamine;bis(2-N-[1-(4-fluorophenyl)ethyl]-6-(4-methylpiperazin-1-yl)-4-N-(3-phenyl-2H-pyrrol-5-yl)-1,3,5-triazine-2,4-diamine);4-N-[(4-fluorophenyl)methyl]-2-N-[3-(furan-2-yl)-2H-pyrrol-5-yl]-4-N-methyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazine-2,4-diamine;4-N-[(4-fluorophenyl)methyl]-2-N-[3-(furan-2-yl)-2H-pyrrol-5-yl]-6-(4-methylpiperazin-1-yl)-1,3,5-triazine-2,4-diamine

C122H136F4N40O3 — CID 159915630

About 4-N-benzyl-2-N-[3-(furan-2-yl)-2H-pyrrol-5-yl]-6-(4-methylpiperazin-1-yl)-1,3,5-triazine-2,4-diamine;bis(2-N-[1-(4-fluorophenyl)ethyl]-6-(4-methylpiperazin-1-yl)-4-N-(3-phenyl-2H-pyrrol-5-yl)-1,3,5-triazine-2,4-diamine);4-N-[(4-fluorophenyl)methyl]-2-N-[3-(furan-2-yl)-2H-pyrrol-5-yl]-4-N-methyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazine-2,4-diamine;4-N-[(4-fluorophenyl)methyl]-2-N-[3-(furan-2-yl)-2H-pyrrol-5-yl]-6-(4-methylpiperazin-1-yl)-1,3,5-triazine-2,4-diamine

4-N-benzyl-2-N-[3-(furan-2-yl)-2H-pyrrol-5-yl]-6-(4-methylpiperazin-1-yl)-1,3,5-triazine-2,4-diamine;bis(2-N-[1-(4-fluorophenyl)ethyl]-6-(4-methylpiperazin-1-yl)-4-N-(3-phenyl-2H-pyrrol-5-yl)-1,3,5-triazine-2,4-diamine);4-N-[(4-fluorophenyl)methyl]-2-N-[3-(furan-2-yl)-2H-pyrrol-5-yl]-4-N-methyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazine-2,4-diamine;4-N-[(4-fluorophenyl)methyl]-2-N-[3-(furan-2-yl)-2H-pyrrol-5-yl]-6-(4-methylpiperazin-1-yl)-1,3,5-triazine-2,4-diamine (PubChem CID 159915630) has the molecular formula C122H136F4N40O3 and a molecular weight of 2286.70 g/mol. Its IUPAC name is 4-N-benzyl-2-N-[3-(furan-2-yl)-2H-pyrrol-5-yl]-6-(4-methylpiperazin-1-yl)-1,3,5-triazine-2,4-diamine;bis(2-N-[1-(4-fluorophenyl)ethyl]-6-(4-methylpiperazin-1-yl)-4-N-(3-phenyl-2H-pyrrol-5-yl)-1,3,5-triazine-2,4-diamine);4-N-[(4-fluorophenyl)methyl]-2-N-[3-(furan-2-yl)-2H-pyrrol-5-yl]-4-N-methyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazine-2,4-diamine;4-N-[(4-fluorophenyl)methyl]-2-N-[3-(furan-2-yl)-2H-pyrrol-5-yl]-6-(4-methylpiperazin-1-yl)-1,3,5-triazine-2,4-diamine.

Molecular Properties

• Compound Name: 4-N-benzyl-2-N-[3-(furan-2-yl)-2H-pyrrol-5-yl]-6-(4-methylpiperazin-1-yl)-1,3,5-triazine-2,4-diamine;bis(2-N-[1-(4-fluorophenyl)ethyl]-6-(4-methylpiperazin-1-yl)-4-N-(3-phenyl-2H-pyrrol-5-yl)-1,3,5-triazine-2,4-diamine);4-N-[(4-fluorophenyl)methyl]-2-N-[3-(furan-2-yl)-2H-pyrrol-5-yl]-4-N-methyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazine-2,4-diamine;4-N-[(4-fluorophenyl)methyl]-2-N-[3-(furan-2-yl)-2H-pyrrol-5-yl]-6-(4-methylpiperazin-1-yl)-1,3,5-triazine-2,4-diamine
• PubChem CID: 159915630
• Molecular Formula: C122H136F4N40O3
• Molecular Weight: 2286.70 g/mol
• Exact Mass: 2285.17
• IUPAC Name: 4-N-benzyl-2-N-[3-(furan-2-yl)-2H-pyrrol-5-yl]-6-(4-methylpiperazin-1-yl)-1,3,5-triazine-2,4-diamine;bis(2-N-[1-(4-fluorophenyl)ethyl]-6-(4-methylpiperazin-1-yl)-4-N-(3-phenyl-2H-pyrrol-5-yl)-1,3,5-triazine-2,4-diamine);4-N-[(4-fluorophenyl)methyl]-2-N-[3-(furan-2-yl)-2H-pyrrol-5-yl]-4-N-methyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazine-2,4-diamine;4-N-[(4-fluorophenyl)methyl]-2-N-[3-(furan-2-yl)-2H-pyrrol-5-yl]-6-(4-methylpiperazin-1-yl)-1,3,5-triazine-2,4-diamine
• SMILES: CC(Nc1nc(NC2=NCC(c3ccccc3)=C2)nc(N2CCN(C)CC2)n1)c1ccc(F)cc1.CC(Nc1nc(NC2=NCC(c3ccccc3)=C2)nc(N2CCN(C)CC2)n1)c1ccc(F)cc1.CN1CCN(c2nc(NC3=NCC(c4ccco4)=C3)nc(N(C)Cc3ccc(F)cc3)n2)CC1.CN1CCN(c2nc(NCc3ccc(F)cc3)nc(NC3=NCC(c4ccco4)=C3)n2)CC1.CN1CCN(c2nc(NCc3ccccc3)nc(NC3=NCC(c4ccco4)=C3)n2)CC1
• InChI: InChI=1S/2C26H29FN8.C24H27FN8O.C23H25FN8O.C23H26N8O/c2*1-18(19-8-10-22(27)11-9-19)29-24-31-25(33-26(32-24)35-14-12-34(2)13-15-35)30-23-16-21(17-28-23)20-6-4-3-5-7-20;1-31-9-11-33(12-10-31)24-29-22(27-21-14-18(15-26-21)20-4-3-13-34-20)28-23(30-24)32(2)16-17-5-7-19(25)8-6-17;1-31-8-10-32(11-9-31)23-29-21(26-14-16-4-6-18(24)7-5-16)28-22(30-23)27-20-13-17(15-25-20)19-3-2-12-33-19;1-30-9-11-31(12-10-30)23-28-21(25-15-17-6-3-2-4-7-17)27-22(29-23)26-20-14-18(16-24-20)19-8-5-13-32-19/h2*3-11,16,18H,12-15,17H2,1-2H3,(H2,28,29,30,31,32,33);3-8,13-14H,9-12,15-16H2,1-2H3,(H,26,27,28,29,30);2-7,12-13H,8-11,14-15H2,1H3,(H2,25,26,27,28,29,30);2-8,13-14H,9-12,15-16H2,1H3,(H2,24,25,26,27,28,29)
• InChIKey: NXSYWRUXJRZVIK-UHFFFAOYSA-N
• XLogP: 16.20
• TPSA: 438.48 Ų
• H-Bond Donors: 9
• H-Bond Acceptors: 43
• Rotatable Bonds: 30
• Heavy Atoms: 169
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2286.70
LogP ≤ 5	16.20
H-Bond Donors ≤ 5	9
H-Bond Acceptors ≤ 10	43

Frequently Asked Questions

What is the IUPAC name of 4-N-benzyl-2-N-[3-(furan-2-yl)-2H-pyrrol-5-yl]-6-(4-methylpiperazin-1-yl)-1,3,5-triazine-2,4-diamine;bis(2-N-[1-(4-fluorophenyl)ethyl]-6-(4-methylpiperazin-1-yl)-4-N-(3-phenyl-2H-pyrrol-5-yl)-1,3,5-triazine-2,4-diamine);4-N-[(4-fluorophenyl)methyl]-2-N-[3-(furan-2-yl)-2H-pyrrol-5-yl]-4-N-methyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazine-2,4-diamine;4-N-[(4-fluorophenyl)methyl]-2-N-[3-(furan-2-yl)-2H-pyrrol-5-yl]-6-(4-methylpiperazin-1-yl)-1,3,5-triazine-2,4-diamine?

The IUPAC name of 4-N-benzyl-2-N-[3-(furan-2-yl)-2H-pyrrol-5-yl]-6-(4-methylpiperazin-1-yl)-1,3,5-triazine-2,4-diamine;bis(2-N-[1-(4-fluorophenyl)ethyl]-6-(4-methylpiperazin-1-yl)-4-N-(3-phenyl-2H-pyrrol-5-yl)-1,3,5-triazine-2,4-diamine);4-N-[(4-fluorophenyl)methyl]-2-N-[3-(furan-2-yl)-2H-pyrrol-5-yl]-4-N-methyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazine-2,4-diamine;4-N-[(4-fluorophenyl)methyl]-2-N-[3-(furan-2-yl)-2H-pyrrol-5-yl]-6-(4-methylpiperazin-1-yl)-1,3,5-triazine-2,4-diamine (CID 159915630) is 4-N-benzyl-2-N-[3-(furan-2-yl)-2H-pyrrol-5-yl]-6-(4-methylpiperazin-1-yl)-1,3,5-triazine-2,4-diamine;bis(2-N-[1-(4-fluorophenyl)ethyl]-6-(4-methylpiperazin-1-yl)-4-N-(3-phenyl-2H-pyrrol-5-yl)-1,3,5-triazine-2,4-diamine);4-N-[(4-fluorophenyl)methyl]-2-N-[3-(furan-2-yl)-2H-pyrrol-5-yl]-4-N-methyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazine-2,4-diamine;4-N-[(4-fluorophenyl)methyl]-2-N-[3-(furan-2-yl)-2H-pyrrol-5-yl]-6-(4-methylpiperazin-1-yl)-1,3,5-triazine-2,4-diamine.

What is the SMILES notation for 4-N-benzyl-2-N-[3-(furan-2-yl)-2H-pyrrol-5-yl]-6-(4-methylpiperazin-1-yl)-1,3,5-triazine-2,4-diamine;bis(2-N-[1-(4-fluorophenyl)ethyl]-6-(4-methylpiperazin-1-yl)-4-N-(3-phenyl-2H-pyrrol-5-yl)-1,3,5-triazine-2,4-diamine);4-N-[(4-fluorophenyl)methyl]-2-N-[3-(furan-2-yl)-2H-pyrrol-5-yl]-4-N-methyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazine-2,4-diamine;4-N-[(4-fluorophenyl)methyl]-2-N-[3-(furan-2-yl)-2H-pyrrol-5-yl]-6-(4-methylpiperazin-1-yl)-1,3,5-triazine-2,4-diamine?

The canonical SMILES for 4-N-benzyl-2-N-[3-(furan-2-yl)-2H-pyrrol-5-yl]-6-(4-methylpiperazin-1-yl)-1,3,5-triazine-2,4-diamine;bis(2-N-[1-(4-fluorophenyl)ethyl]-6-(4-methylpiperazin-1-yl)-4-N-(3-phenyl-2H-pyrrol-5-yl)-1,3,5-triazine-2,4-diamine);4-N-[(4-fluorophenyl)methyl]-2-N-[3-(furan-2-yl)-2H-pyrrol-5-yl]-4-N-methyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazine-2,4-diamine;4-N-[(4-fluorophenyl)methyl]-2-N-[3-(furan-2-yl)-2H-pyrrol-5-yl]-6-(4-methylpiperazin-1-yl)-1,3,5-triazine-2,4-diamine is CC(Nc1nc(NC2=NCC(c3ccccc3)=C2)nc(N2CCN(C)CC2)n1)c1ccc(F)cc1.CC(Nc1nc(NC2=NCC(c3ccccc3)=C2)nc(N2CCN(C)CC2)n1)c1ccc(F)cc1.CN1CCN(c2nc(NC3=NCC(c4ccco4)=C3)nc(N(C)Cc3ccc(F)cc3)n2)CC1.CN1CCN(c2nc(NCc3ccc(F)cc3)nc(NC3=NCC(c4ccco4)=C3)n2)CC1.CN1CCN(c2nc(NCc3ccccc3)nc(NC3=NCC(c4ccco4)=C3)n2)CC1.

What is the InChIKey of 4-N-benzyl-2-N-[3-(furan-2-yl)-2H-pyrrol-5-yl]-6-(4-methylpiperazin-1-yl)-1,3,5-triazine-2,4-diamine;bis(2-N-[1-(4-fluorophenyl)ethyl]-6-(4-methylpiperazin-1-yl)-4-N-(3-phenyl-2H-pyrrol-5-yl)-1,3,5-triazine-2,4-diamine);4-N-[(4-fluorophenyl)methyl]-2-N-[3-(furan-2-yl)-2H-pyrrol-5-yl]-4-N-methyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazine-2,4-diamine;4-N-[(4-fluorophenyl)methyl]-2-N-[3-(furan-2-yl)-2H-pyrrol-5-yl]-6-(4-methylpiperazin-1-yl)-1,3,5-triazine-2,4-diamine?

The InChIKey is NXSYWRUXJRZVIK-UHFFFAOYSA-N. The full InChI is InChI=1S/2C26H29FN8.C24H27FN8O.C23H25FN8O.C23H26N8O/c2*1-18(19-8-10-22(27)11-9-19)29-24-31-25(33-26(32-24)35-14-12-34(2)13-15-35)30-23-16-21(17-28-23)20-6-4-3-5-7-20;1-31-9-11-33(12-10-31)24-29-22(27-21-14-18(15-26-21)20-4-3-13-34-20)28-23(30-24)32(2)16-17-5-7-19(25)8-6-17;1-31-8-10-32(11-9-31)23-29-21(26-14-16-4-6-18(24)7-5-16)28-22(30-23)27-20-13-17(15-25-20)19-3-2-12-33-19;1-30-9-11-31(12-10-30)23-28-21(25-15-17-6-3-2-4-7-17)27-22(29-23)26-20-14-18(16-24-20)19-8-5-13-32-19/h2*3-11,16,18H,12-15,17H2,1-2H3,(H2,28,29,30,31,32,33);3-8,13-14H,9-12,15-16H2,1-2H3,(H,26,27,28,29,30);2-7,12-13H,8-11,14-15H2,1H3,(H2,25,26,27,28,29,30);2-8,13-14H,9-12,15-16H2,1H3,(H2,24,25,26,27,28,29).

What are the key properties of 4-N-benzyl-2-N-[3-(furan-2-yl)-2H-pyrrol-5-yl]-6-(4-methylpiperazin-1-yl)-1,3,5-triazine-2,4-diamine;bis(2-N-[1-(4-fluorophenyl)ethyl]-6-(4-methylpiperazin-1-yl)-4-N-(3-phenyl-2H-pyrrol-5-yl)-1,3,5-triazine-2,4-diamine);4-N-[(4-fluorophenyl)methyl]-2-N-[3-(furan-2-yl)-2H-pyrrol-5-yl]-4-N-methyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazine-2,4-diamine;4-N-[(4-fluorophenyl)methyl]-2-N-[3-(furan-2-yl)-2H-pyrrol-5-yl]-6-(4-methylpiperazin-1-yl)-1,3,5-triazine-2,4-diamine?

4-N-benzyl-2-N-[3-(furan-2-yl)-2H-pyrrol-5-yl]-6-(4-methylpiperazin-1-yl)-1,3,5-triazine-2,4-diamine;bis(2-N-[1-(4-fluorophenyl)ethyl]-6-(4-methylpiperazin-1-yl)-4-N-(3-phenyl-2H-pyrrol-5-yl)-1,3,5-triazine-2,4-diamine);4-N-[(4-fluorophenyl)methyl]-2-N-[3-(furan-2-yl)-2H-pyrrol-5-yl]-4-N-methyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazine-2,4-diamine;4-N-[(4-fluorophenyl)methyl]-2-N-[3-(furan-2-yl)-2H-pyrrol-5-yl]-6-(4-methylpiperazin-1-yl)-1,3,5-triazine-2,4-diamine has a molecular weight of 2286.70 g/mol, XLogP of 16.20, 30 rotatable bonds, 9 hydrogen bond donors, and 43 hydrogen bond acceptors.

Where does this data come from?

All data for 4-N-benzyl-2-N-[3-(furan-2-yl)-2H-pyrrol-5-yl]-6-(4-methylpiperazin-1-yl)-1,3,5-triazine-2,4-diamine;bis(2-N-[1-(4-fluorophenyl)ethyl]-6-(4-methylpiperazin-1-yl)-4-N-(3-phenyl-2H-pyrrol-5-yl)-1,3,5-triazine-2,4-diamine);4-N-[(4-fluorophenyl)methyl]-2-N-[3-(furan-2-yl)-2H-pyrrol-5-yl]-4-N-methyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazine-2,4-diamine;4-N-[(4-fluorophenyl)methyl]-2-N-[3-(furan-2-yl)-2H-pyrrol-5-yl]-6-(4-methylpiperazin-1-yl)-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 159915630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).