4-(4-aminophenyl)sulfanyl-N-[3-(furan-2-yl)-2H-pyrrol-5-yl]-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-amine;1-cyclopropyl-2-[4-[[4-[[3-(furan-2-yl)-2H-pyrrol-5-yl]amino]-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]sulfanyl]phenyl]ethanone;2-N-[3-(furan-2-yl)-2H-pyrrol-5-yl]-4-N-methyl-6-(4-methylpiperazin-1-yl)-4-N-phenyl-1,3,5-triazine-2,4-diamine;N-[3-(furan-2-yl)-2H-pyrrol-5-yl]-4-(4-methylphenyl)sulfanyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-amine

C95H104N30O5S3 — CID 160856697

About 4-(4-aminophenyl)sulfanyl-N-[3-(furan-2-yl)-2H-pyrrol-5-yl]-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-amine;1-cyclopropyl-2-[4-[[4-[[3-(furan-2-yl)-2H-pyrrol-5-yl]amino]-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]sulfanyl]phenyl]ethanone;2-N-[3-(furan-2-yl)-2H-pyrrol-5-yl]-4-N-methyl-6-(4-methylpiperazin-1-yl)-4-N-phenyl-1,3,5-triazine-2,4-diamine;N-[3-(furan-2-yl)-2H-pyrrol-5-yl]-4-(4-methylphenyl)sulfanyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-amine

4-(4-aminophenyl)sulfanyl-N-[3-(furan-2-yl)-2H-pyrrol-5-yl]-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-amine;1-cyclopropyl-2-[4-[[4-[[3-(furan-2-yl)-2H-pyrrol-5-yl]amino]-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]sulfanyl]phenyl]ethanone;2-N-[3-(furan-2-yl)-2H-pyrrol-5-yl]-4-N-methyl-6-(4-methylpiperazin-1-yl)-4-N-phenyl-1,3,5-triazine-2,4-diamine;N-[3-(furan-2-yl)-2H-pyrrol-5-yl]-4-(4-methylphenyl)sulfanyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-amine (PubChem CID 160856697) has the molecular formula C95H104N30O5S3 and a molecular weight of 1842.28 g/mol. Its IUPAC name is 4-(4-aminophenyl)sulfanyl-N-[3-(furan-2-yl)-2H-pyrrol-5-yl]-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-amine;1-cyclopropyl-2-[4-[[4-[[3-(furan-2-yl)-2H-pyrrol-5-yl]amino]-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]sulfanyl]phenyl]ethanone;2-N-[3-(furan-2-yl)-2H-pyrrol-5-yl]-4-N-methyl-6-(4-methylpiperazin-1-yl)-4-N-phenyl-1,3,5-triazine-2,4-diamine;N-[3-(furan-2-yl)-2H-pyrrol-5-yl]-4-(4-methylphenyl)sulfanyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-amine.

Molecular Properties

• Compound Name: 4-(4-aminophenyl)sulfanyl-N-[3-(furan-2-yl)-2H-pyrrol-5-yl]-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-amine;1-cyclopropyl-2-[4-[[4-[[3-(furan-2-yl)-2H-pyrrol-5-yl]amino]-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]sulfanyl]phenyl]ethanone;2-N-[3-(furan-2-yl)-2H-pyrrol-5-yl]-4-N-methyl-6-(4-methylpiperazin-1-yl)-4-N-phenyl-1,3,5-triazine-2,4-diamine;N-[3-(furan-2-yl)-2H-pyrrol-5-yl]-4-(4-methylphenyl)sulfanyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-amine
• PubChem CID: 160856697
• Molecular Formula: C95H104N30O5S3
• Molecular Weight: 1842.28 g/mol
• Exact Mass: 1840.80
• IUPAC Name: 4-(4-aminophenyl)sulfanyl-N-[3-(furan-2-yl)-2H-pyrrol-5-yl]-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-amine;1-cyclopropyl-2-[4-[[4-[[3-(furan-2-yl)-2H-pyrrol-5-yl]amino]-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]sulfanyl]phenyl]ethanone;2-N-[3-(furan-2-yl)-2H-pyrrol-5-yl]-4-N-methyl-6-(4-methylpiperazin-1-yl)-4-N-phenyl-1,3,5-triazine-2,4-diamine;N-[3-(furan-2-yl)-2H-pyrrol-5-yl]-4-(4-methylphenyl)sulfanyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-amine
• SMILES: CN1CCN(c2nc(NC3=NCC(c4ccco4)=C3)nc(N(C)c3ccccc3)n2)CC1.CN1CCN(c2nc(NC3=NCC(c4ccco4)=C3)nc(Sc3ccc(CC(=O)C4CC4)cc3)n2)CC1.CN1CCN(c2nc(NC3=NCC(c4ccco4)=C3)nc(Sc3ccc(N)cc3)n2)CC1.Cc1ccc(Sc2nc(NC3=NCC(c4ccco4)=C3)nc(N3CCN(C)CC3)n2)cc1
• InChI: InChI=1S/C27H29N7O2S.C23H26N8O.C23H25N7OS.C22H24N8OS/c1-33-10-12-34(13-11-33)26-30-25(29-24-16-20(17-28-24)23-3-2-14-36-23)31-27(32-26)37-21-8-4-18(5-9-21)15-22(35)19-6-7-19;1-29-10-12-31(13-11-29)23-27-21(25-20-15-17(16-24-20)19-9-6-14-32-19)26-22(28-23)30(2)18-7-4-3-5-8-18;1-16-5-7-18(8-6-16)32-23-27-21(26-22(28-23)30-11-9-29(2)10-12-30)25-20-14-17(15-24-20)19-4-3-13-31-19;1-29-8-10-30(11-9-29)21-26-20(25-19-13-15(14-24-19)18-3-2-12-31-18)27-22(28-21)32-17-6-4-16(23)5-7-17/h2-5,8-9,14,16,19H,6-7,10-13,15,17H2,1H3,(H,28,29,30,31,32);3-9,14-15H,10-13,16H2,1-2H3,(H,24,25,26,27,28);3-8,13-14H,9-12,15H2,1-2H3,(H,24,25,26,27,28);2-7,12-13H,8-11,14,23H2,1H3,(H,24,25,26,27,28)
• InChIKey: SJYJBFWVASHPAL-UHFFFAOYSA-N
• XLogP: 13.13
• TPSA: 377.05 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 38
• Rotatable Bonds: 23
• Heavy Atoms: 133
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1842.28
LogP ≤ 5	13.13
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	38

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 4-(4-aminophenyl)sulfanyl-N-[3-(furan-2-yl)-2H-pyrrol-5-yl]-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-amine;1-cyclopropyl-2-[4-[[4-[[3-(furan-2-yl)-2H-pyrrol-5-yl]amino]-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]sulfanyl]phenyl]ethanone;2-N-[3-(furan-2-yl)-2H-pyrrol-5-yl]-4-N-methyl-6-(4-methylpiperazin-1-yl)-4-N-phenyl-1,3,5-triazine-2,4-diamine;N-[3-(furan-2-yl)-2H-pyrrol-5-yl]-4-(4-methylphenyl)sulfanyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-amine?

The IUPAC name of 4-(4-aminophenyl)sulfanyl-N-[3-(furan-2-yl)-2H-pyrrol-5-yl]-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-amine;1-cyclopropyl-2-[4-[[4-[[3-(furan-2-yl)-2H-pyrrol-5-yl]amino]-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]sulfanyl]phenyl]ethanone;2-N-[3-(furan-2-yl)-2H-pyrrol-5-yl]-4-N-methyl-6-(4-methylpiperazin-1-yl)-4-N-phenyl-1,3,5-triazine-2,4-diamine;N-[3-(furan-2-yl)-2H-pyrrol-5-yl]-4-(4-methylphenyl)sulfanyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-amine (CID 160856697) is 4-(4-aminophenyl)sulfanyl-N-[3-(furan-2-yl)-2H-pyrrol-5-yl]-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-amine;1-cyclopropyl-2-[4-[[4-[[3-(furan-2-yl)-2H-pyrrol-5-yl]amino]-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]sulfanyl]phenyl]ethanone;2-N-[3-(furan-2-yl)-2H-pyrrol-5-yl]-4-N-methyl-6-(4-methylpiperazin-1-yl)-4-N-phenyl-1,3,5-triazine-2,4-diamine;N-[3-(furan-2-yl)-2H-pyrrol-5-yl]-4-(4-methylphenyl)sulfanyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-amine.

What is the SMILES notation for 4-(4-aminophenyl)sulfanyl-N-[3-(furan-2-yl)-2H-pyrrol-5-yl]-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-amine;1-cyclopropyl-2-[4-[[4-[[3-(furan-2-yl)-2H-pyrrol-5-yl]amino]-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]sulfanyl]phenyl]ethanone;2-N-[3-(furan-2-yl)-2H-pyrrol-5-yl]-4-N-methyl-6-(4-methylpiperazin-1-yl)-4-N-phenyl-1,3,5-triazine-2,4-diamine;N-[3-(furan-2-yl)-2H-pyrrol-5-yl]-4-(4-methylphenyl)sulfanyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-amine?

The canonical SMILES for 4-(4-aminophenyl)sulfanyl-N-[3-(furan-2-yl)-2H-pyrrol-5-yl]-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-amine;1-cyclopropyl-2-[4-[[4-[[3-(furan-2-yl)-2H-pyrrol-5-yl]amino]-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]sulfanyl]phenyl]ethanone;2-N-[3-(furan-2-yl)-2H-pyrrol-5-yl]-4-N-methyl-6-(4-methylpiperazin-1-yl)-4-N-phenyl-1,3,5-triazine-2,4-diamine;N-[3-(furan-2-yl)-2H-pyrrol-5-yl]-4-(4-methylphenyl)sulfanyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-amine is CN1CCN(c2nc(NC3=NCC(c4ccco4)=C3)nc(N(C)c3ccccc3)n2)CC1.CN1CCN(c2nc(NC3=NCC(c4ccco4)=C3)nc(Sc3ccc(CC(=O)C4CC4)cc3)n2)CC1.CN1CCN(c2nc(NC3=NCC(c4ccco4)=C3)nc(Sc3ccc(N)cc3)n2)CC1.Cc1ccc(Sc2nc(NC3=NCC(c4ccco4)=C3)nc(N3CCN(C)CC3)n2)cc1.

What is the InChIKey of 4-(4-aminophenyl)sulfanyl-N-[3-(furan-2-yl)-2H-pyrrol-5-yl]-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-amine;1-cyclopropyl-2-[4-[[4-[[3-(furan-2-yl)-2H-pyrrol-5-yl]amino]-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]sulfanyl]phenyl]ethanone;2-N-[3-(furan-2-yl)-2H-pyrrol-5-yl]-4-N-methyl-6-(4-methylpiperazin-1-yl)-4-N-phenyl-1,3,5-triazine-2,4-diamine;N-[3-(furan-2-yl)-2H-pyrrol-5-yl]-4-(4-methylphenyl)sulfanyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-amine?

The InChIKey is SJYJBFWVASHPAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H29N7O2S.C23H26N8O.C23H25N7OS.C22H24N8OS/c1-33-10-12-34(13-11-33)26-30-25(29-24-16-20(17-28-24)23-3-2-14-36-23)31-27(32-26)37-21-8-4-18(5-9-21)15-22(35)19-6-7-19;1-29-10-12-31(13-11-29)23-27-21(25-20-15-17(16-24-20)19-9-6-14-32-19)26-22(28-23)30(2)18-7-4-3-5-8-18;1-16-5-7-18(8-6-16)32-23-27-21(26-22(28-23)30-11-9-29(2)10-12-30)25-20-14-17(15-24-20)19-4-3-13-31-19;1-29-8-10-30(11-9-29)21-26-20(25-19-13-15(14-24-19)18-3-2-12-31-18)27-22(28-21)32-17-6-4-16(23)5-7-17/h2-5,8-9,14,16,19H,6-7,10-13,15,17H2,1H3,(H,28,29,30,31,32);3-9,14-15H,10-13,16H2,1-2H3,(H,24,25,26,27,28);3-8,13-14H,9-12,15H2,1-2H3,(H,24,25,26,27,28);2-7,12-13H,8-11,14,23H2,1H3,(H,24,25,26,27,28).

What are the key properties of 4-(4-aminophenyl)sulfanyl-N-[3-(furan-2-yl)-2H-pyrrol-5-yl]-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-amine;1-cyclopropyl-2-[4-[[4-[[3-(furan-2-yl)-2H-pyrrol-5-yl]amino]-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]sulfanyl]phenyl]ethanone;2-N-[3-(furan-2-yl)-2H-pyrrol-5-yl]-4-N-methyl-6-(4-methylpiperazin-1-yl)-4-N-phenyl-1,3,5-triazine-2,4-diamine;N-[3-(furan-2-yl)-2H-pyrrol-5-yl]-4-(4-methylphenyl)sulfanyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-amine?

4-(4-aminophenyl)sulfanyl-N-[3-(furan-2-yl)-2H-pyrrol-5-yl]-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-amine;1-cyclopropyl-2-[4-[[4-[[3-(furan-2-yl)-2H-pyrrol-5-yl]amino]-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]sulfanyl]phenyl]ethanone;2-N-[3-(furan-2-yl)-2H-pyrrol-5-yl]-4-N-methyl-6-(4-methylpiperazin-1-yl)-4-N-phenyl-1,3,5-triazine-2,4-diamine;N-[3-(furan-2-yl)-2H-pyrrol-5-yl]-4-(4-methylphenyl)sulfanyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-amine has a molecular weight of 1842.28 g/mol, XLogP of 13.13, 23 rotatable bonds, 5 hydrogen bond donors, and 38 hydrogen bond acceptors.

Where does this data come from?

All data for 4-(4-aminophenyl)sulfanyl-N-[3-(furan-2-yl)-2H-pyrrol-5-yl]-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-amine;1-cyclopropyl-2-[4-[[4-[[3-(furan-2-yl)-2H-pyrrol-5-yl]amino]-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]sulfanyl]phenyl]ethanone;2-N-[3-(furan-2-yl)-2H-pyrrol-5-yl]-4-N-methyl-6-(4-methylpiperazin-1-yl)-4-N-phenyl-1,3,5-triazine-2,4-diamine;N-[3-(furan-2-yl)-2H-pyrrol-5-yl]-4-(4-methylphenyl)sulfanyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-amine is sourced from PubChem (CID 160856697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).