N-[3-(furan-2-yl)-2H-pyrrol-5-yl]-4-(4-methylpiperazin-1-yl)-6-phenoxy-1,3,5-triazin-2-amine;N-[3-(furan-2-yl)-2H-pyrrol-5-yl]-4-(4-methylpiperazin-1-yl)-6-phenylsulfanyl-1,3,5-triazin-2-amine;2-N-[3-(furan-2-yl)-2H-pyrrol-5-yl]-6-(4-methylpiperazin-1-yl)-4-N-phenyl-1,3,5-triazine-2,4-diamine;4-(4-methylpiperazin-1-yl)-6-phenylsulfanyl-N-(3-thiophen-2-yl-2H-pyrrol-5-yl)-1,3,5-triazin-2-amine;6-(4-methylpiperazin-1-yl)-4-N-phenyl-2-N-(3-thiophen-2-yl-2H-pyrrol-5-yl)-1,3,5-triazine-2,4-diamine

C110H117N37O4S4 — CID 159444823

About N-[3-(furan-2-yl)-2H-pyrrol-5-yl]-4-(4-methylpiperazin-1-yl)-6-phenoxy-1,3,5-triazin-2-amine;N-[3-(furan-2-yl)-2H-pyrrol-5-yl]-4-(4-methylpiperazin-1-yl)-6-phenylsulfanyl-1,3,5-triazin-2-amine;2-N-[3-(furan-2-yl)-2H-pyrrol-5-yl]-6-(4-methylpiperazin-1-yl)-4-N-phenyl-1,3,5-triazine-2,4-diamine;4-(4-methylpiperazin-1-yl)-6-phenylsulfanyl-N-(3-thiophen-2-yl-2H-pyrrol-5-yl)-1,3,5-triazin-2-amine;6-(4-methylpiperazin-1-yl)-4-N-phenyl-2-N-(3-thiophen-2-yl-2H-pyrrol-5-yl)-1,3,5-triazine-2,4-diamine

N-[3-(furan-2-yl)-2H-pyrrol-5-yl]-4-(4-methylpiperazin-1-yl)-6-phenoxy-1,3,5-triazin-2-amine;N-[3-(furan-2-yl)-2H-pyrrol-5-yl]-4-(4-methylpiperazin-1-yl)-6-phenylsulfanyl-1,3,5-triazin-2-amine;2-N-[3-(furan-2-yl)-2H-pyrrol-5-yl]-6-(4-methylpiperazin-1-yl)-4-N-phenyl-1,3,5-triazine-2,4-diamine;4-(4-methylpiperazin-1-yl)-6-phenylsulfanyl-N-(3-thiophen-2-yl-2H-pyrrol-5-yl)-1,3,5-triazin-2-amine;6-(4-methylpiperazin-1-yl)-4-N-phenyl-2-N-(3-thiophen-2-yl-2H-pyrrol-5-yl)-1,3,5-triazine-2,4-diamine (PubChem CID 159444823) has the molecular formula C110H117N37O4S4 and a molecular weight of 2149.67 g/mol. Its IUPAC name is N-[3-(furan-2-yl)-2H-pyrrol-5-yl]-4-(4-methylpiperazin-1-yl)-6-phenoxy-1,3,5-triazin-2-amine;N-[3-(furan-2-yl)-2H-pyrrol-5-yl]-4-(4-methylpiperazin-1-yl)-6-phenylsulfanyl-1,3,5-triazin-2-amine;2-N-[3-(furan-2-yl)-2H-pyrrol-5-yl]-6-(4-methylpiperazin-1-yl)-4-N-phenyl-1,3,5-triazine-2,4-diamine;4-(4-methylpiperazin-1-yl)-6-phenylsulfanyl-N-(3-thiophen-2-yl-2H-pyrrol-5-yl)-1,3,5-triazin-2-amine;6-(4-methylpiperazin-1-yl)-4-N-phenyl-2-N-(3-thiophen-2-yl-2H-pyrrol-5-yl)-1,3,5-triazine-2,4-diamine.

Molecular Properties

• Compound Name: N-[3-(furan-2-yl)-2H-pyrrol-5-yl]-4-(4-methylpiperazin-1-yl)-6-phenoxy-1,3,5-triazin-2-amine;N-[3-(furan-2-yl)-2H-pyrrol-5-yl]-4-(4-methylpiperazin-1-yl)-6-phenylsulfanyl-1,3,5-triazin-2-amine;2-N-[3-(furan-2-yl)-2H-pyrrol-5-yl]-6-(4-methylpiperazin-1-yl)-4-N-phenyl-1,3,5-triazine-2,4-diamine;4-(4-methylpiperazin-1-yl)-6-phenylsulfanyl-N-(3-thiophen-2-yl-2H-pyrrol-5-yl)-1,3,5-triazin-2-amine;6-(4-methylpiperazin-1-yl)-4-N-phenyl-2-N-(3-thiophen-2-yl-2H-pyrrol-5-yl)-1,3,5-triazine-2,4-diamine
• PubChem CID: 159444823
• Molecular Formula: C110H117N37O4S4
• Molecular Weight: 2149.67 g/mol
• Exact Mass: 2147.90
• IUPAC Name: N-[3-(furan-2-yl)-2H-pyrrol-5-yl]-4-(4-methylpiperazin-1-yl)-6-phenoxy-1,3,5-triazin-2-amine;N-[3-(furan-2-yl)-2H-pyrrol-5-yl]-4-(4-methylpiperazin-1-yl)-6-phenylsulfanyl-1,3,5-triazin-2-amine;2-N-[3-(furan-2-yl)-2H-pyrrol-5-yl]-6-(4-methylpiperazin-1-yl)-4-N-phenyl-1,3,5-triazine-2,4-diamine;4-(4-methylpiperazin-1-yl)-6-phenylsulfanyl-N-(3-thiophen-2-yl-2H-pyrrol-5-yl)-1,3,5-triazin-2-amine;6-(4-methylpiperazin-1-yl)-4-N-phenyl-2-N-(3-thiophen-2-yl-2H-pyrrol-5-yl)-1,3,5-triazine-2,4-diamine
• SMILES: CN1CCN(c2nc(NC3=NCC(c4ccco4)=C3)nc(Nc3ccccc3)n2)CC1.CN1CCN(c2nc(NC3=NCC(c4ccco4)=C3)nc(Oc3ccccc3)n2)CC1.CN1CCN(c2nc(NC3=NCC(c4ccco4)=C3)nc(Sc3ccccc3)n2)CC1.CN1CCN(c2nc(NC3=NCC(c4cccs4)=C3)nc(Nc3ccccc3)n2)CC1.CN1CCN(c2nc(NC3=NCC(c4cccs4)=C3)nc(Sc3ccccc3)n2)CC1
• InChI: InChI=1S/C22H24N8O.C22H24N8S.C22H23N7O2.C22H23N7OS.C22H23N7S2/c2*1-29-9-11-30(12-10-29)22-27-20(24-17-6-3-2-4-7-17)26-21(28-22)25-19-14-16(15-23-19)18-8-5-13-31-18;3*1-28-9-11-29(12-10-28)21-25-20(26-22(27-21)31-17-6-3-2-4-7-17)24-19-14-16(15-23-19)18-8-5-13-30-18/h2*2-8,13-14H,9-12,15H2,1H3,(H2,23,24,25,26,27,28);3*2-8,13-14H,9-12,15H2,1H3,(H,23,24,25,26,27)
• InChIKey: LSQAUQNLCWAVIP-UHFFFAOYSA-N
• XLogP: 16.14
• TPSA: 420.41 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 45
• Rotatable Bonds: 25
• Heavy Atoms: 155
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2149.67
LogP ≤ 5	16.14
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	45

Frequently Asked Questions

What is the IUPAC name of N-[3-(furan-2-yl)-2H-pyrrol-5-yl]-4-(4-methylpiperazin-1-yl)-6-phenoxy-1,3,5-triazin-2-amine;N-[3-(furan-2-yl)-2H-pyrrol-5-yl]-4-(4-methylpiperazin-1-yl)-6-phenylsulfanyl-1,3,5-triazin-2-amine;2-N-[3-(furan-2-yl)-2H-pyrrol-5-yl]-6-(4-methylpiperazin-1-yl)-4-N-phenyl-1,3,5-triazine-2,4-diamine;4-(4-methylpiperazin-1-yl)-6-phenylsulfanyl-N-(3-thiophen-2-yl-2H-pyrrol-5-yl)-1,3,5-triazin-2-amine;6-(4-methylpiperazin-1-yl)-4-N-phenyl-2-N-(3-thiophen-2-yl-2H-pyrrol-5-yl)-1,3,5-triazine-2,4-diamine?

The IUPAC name of N-[3-(furan-2-yl)-2H-pyrrol-5-yl]-4-(4-methylpiperazin-1-yl)-6-phenoxy-1,3,5-triazin-2-amine;N-[3-(furan-2-yl)-2H-pyrrol-5-yl]-4-(4-methylpiperazin-1-yl)-6-phenylsulfanyl-1,3,5-triazin-2-amine;2-N-[3-(furan-2-yl)-2H-pyrrol-5-yl]-6-(4-methylpiperazin-1-yl)-4-N-phenyl-1,3,5-triazine-2,4-diamine;4-(4-methylpiperazin-1-yl)-6-phenylsulfanyl-N-(3-thiophen-2-yl-2H-pyrrol-5-yl)-1,3,5-triazin-2-amine;6-(4-methylpiperazin-1-yl)-4-N-phenyl-2-N-(3-thiophen-2-yl-2H-pyrrol-5-yl)-1,3,5-triazine-2,4-diamine (CID 159444823) is N-[3-(furan-2-yl)-2H-pyrrol-5-yl]-4-(4-methylpiperazin-1-yl)-6-phenoxy-1,3,5-triazin-2-amine;N-[3-(furan-2-yl)-2H-pyrrol-5-yl]-4-(4-methylpiperazin-1-yl)-6-phenylsulfanyl-1,3,5-triazin-2-amine;2-N-[3-(furan-2-yl)-2H-pyrrol-5-yl]-6-(4-methylpiperazin-1-yl)-4-N-phenyl-1,3,5-triazine-2,4-diamine;4-(4-methylpiperazin-1-yl)-6-phenylsulfanyl-N-(3-thiophen-2-yl-2H-pyrrol-5-yl)-1,3,5-triazin-2-amine;6-(4-methylpiperazin-1-yl)-4-N-phenyl-2-N-(3-thiophen-2-yl-2H-pyrrol-5-yl)-1,3,5-triazine-2,4-diamine.

What is the SMILES notation for N-[3-(furan-2-yl)-2H-pyrrol-5-yl]-4-(4-methylpiperazin-1-yl)-6-phenoxy-1,3,5-triazin-2-amine;N-[3-(furan-2-yl)-2H-pyrrol-5-yl]-4-(4-methylpiperazin-1-yl)-6-phenylsulfanyl-1,3,5-triazin-2-amine;2-N-[3-(furan-2-yl)-2H-pyrrol-5-yl]-6-(4-methylpiperazin-1-yl)-4-N-phenyl-1,3,5-triazine-2,4-diamine;4-(4-methylpiperazin-1-yl)-6-phenylsulfanyl-N-(3-thiophen-2-yl-2H-pyrrol-5-yl)-1,3,5-triazin-2-amine;6-(4-methylpiperazin-1-yl)-4-N-phenyl-2-N-(3-thiophen-2-yl-2H-pyrrol-5-yl)-1,3,5-triazine-2,4-diamine?

The canonical SMILES for N-[3-(furan-2-yl)-2H-pyrrol-5-yl]-4-(4-methylpiperazin-1-yl)-6-phenoxy-1,3,5-triazin-2-amine;N-[3-(furan-2-yl)-2H-pyrrol-5-yl]-4-(4-methylpiperazin-1-yl)-6-phenylsulfanyl-1,3,5-triazin-2-amine;2-N-[3-(furan-2-yl)-2H-pyrrol-5-yl]-6-(4-methylpiperazin-1-yl)-4-N-phenyl-1,3,5-triazine-2,4-diamine;4-(4-methylpiperazin-1-yl)-6-phenylsulfanyl-N-(3-thiophen-2-yl-2H-pyrrol-5-yl)-1,3,5-triazin-2-amine;6-(4-methylpiperazin-1-yl)-4-N-phenyl-2-N-(3-thiophen-2-yl-2H-pyrrol-5-yl)-1,3,5-triazine-2,4-diamine is CN1CCN(c2nc(NC3=NCC(c4ccco4)=C3)nc(Nc3ccccc3)n2)CC1.CN1CCN(c2nc(NC3=NCC(c4ccco4)=C3)nc(Oc3ccccc3)n2)CC1.CN1CCN(c2nc(NC3=NCC(c4ccco4)=C3)nc(Sc3ccccc3)n2)CC1.CN1CCN(c2nc(NC3=NCC(c4cccs4)=C3)nc(Nc3ccccc3)n2)CC1.CN1CCN(c2nc(NC3=NCC(c4cccs4)=C3)nc(Sc3ccccc3)n2)CC1.

What is the InChIKey of N-[3-(furan-2-yl)-2H-pyrrol-5-yl]-4-(4-methylpiperazin-1-yl)-6-phenoxy-1,3,5-triazin-2-amine;N-[3-(furan-2-yl)-2H-pyrrol-5-yl]-4-(4-methylpiperazin-1-yl)-6-phenylsulfanyl-1,3,5-triazin-2-amine;2-N-[3-(furan-2-yl)-2H-pyrrol-5-yl]-6-(4-methylpiperazin-1-yl)-4-N-phenyl-1,3,5-triazine-2,4-diamine;4-(4-methylpiperazin-1-yl)-6-phenylsulfanyl-N-(3-thiophen-2-yl-2H-pyrrol-5-yl)-1,3,5-triazin-2-amine;6-(4-methylpiperazin-1-yl)-4-N-phenyl-2-N-(3-thiophen-2-yl-2H-pyrrol-5-yl)-1,3,5-triazine-2,4-diamine?

The InChIKey is LSQAUQNLCWAVIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N8O.C22H24N8S.C22H23N7O2.C22H23N7OS.C22H23N7S2/c2*1-29-9-11-30(12-10-29)22-27-20(24-17-6-3-2-4-7-17)26-21(28-22)25-19-14-16(15-23-19)18-8-5-13-31-18;3*1-28-9-11-29(12-10-28)21-25-20(26-22(27-21)31-17-6-3-2-4-7-17)24-19-14-16(15-23-19)18-8-5-13-30-18/h2*2-8,13-14H,9-12,15H2,1H3,(H2,23,24,25,26,27,28);3*2-8,13-14H,9-12,15H2,1H3,(H,23,24,25,26,27).

What are the key properties of N-[3-(furan-2-yl)-2H-pyrrol-5-yl]-4-(4-methylpiperazin-1-yl)-6-phenoxy-1,3,5-triazin-2-amine;N-[3-(furan-2-yl)-2H-pyrrol-5-yl]-4-(4-methylpiperazin-1-yl)-6-phenylsulfanyl-1,3,5-triazin-2-amine;2-N-[3-(furan-2-yl)-2H-pyrrol-5-yl]-6-(4-methylpiperazin-1-yl)-4-N-phenyl-1,3,5-triazine-2,4-diamine;4-(4-methylpiperazin-1-yl)-6-phenylsulfanyl-N-(3-thiophen-2-yl-2H-pyrrol-5-yl)-1,3,5-triazin-2-amine;6-(4-methylpiperazin-1-yl)-4-N-phenyl-2-N-(3-thiophen-2-yl-2H-pyrrol-5-yl)-1,3,5-triazine-2,4-diamine?

N-[3-(furan-2-yl)-2H-pyrrol-5-yl]-4-(4-methylpiperazin-1-yl)-6-phenoxy-1,3,5-triazin-2-amine;N-[3-(furan-2-yl)-2H-pyrrol-5-yl]-4-(4-methylpiperazin-1-yl)-6-phenylsulfanyl-1,3,5-triazin-2-amine;2-N-[3-(furan-2-yl)-2H-pyrrol-5-yl]-6-(4-methylpiperazin-1-yl)-4-N-phenyl-1,3,5-triazine-2,4-diamine;4-(4-methylpiperazin-1-yl)-6-phenylsulfanyl-N-(3-thiophen-2-yl-2H-pyrrol-5-yl)-1,3,5-triazin-2-amine;6-(4-methylpiperazin-1-yl)-4-N-phenyl-2-N-(3-thiophen-2-yl-2H-pyrrol-5-yl)-1,3,5-triazine-2,4-diamine has a molecular weight of 2149.67 g/mol, XLogP of 16.14, 25 rotatable bonds, 7 hydrogen bond donors, and 45 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-(furan-2-yl)-2H-pyrrol-5-yl]-4-(4-methylpiperazin-1-yl)-6-phenoxy-1,3,5-triazin-2-amine;N-[3-(furan-2-yl)-2H-pyrrol-5-yl]-4-(4-methylpiperazin-1-yl)-6-phenylsulfanyl-1,3,5-triazin-2-amine;2-N-[3-(furan-2-yl)-2H-pyrrol-5-yl]-6-(4-methylpiperazin-1-yl)-4-N-phenyl-1,3,5-triazine-2,4-diamine;4-(4-methylpiperazin-1-yl)-6-phenylsulfanyl-N-(3-thiophen-2-yl-2H-pyrrol-5-yl)-1,3,5-triazin-2-amine;6-(4-methylpiperazin-1-yl)-4-N-phenyl-2-N-(3-thiophen-2-yl-2H-pyrrol-5-yl)-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 159444823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).