4-N-[2-(dimethylamino)ethyl]-2-N-(3-phenyl-2H-pyrrol-5-yl)-6-phenylsulfanyl-1,3,5-triazine-2,4-diamine;4-N-[2-(dimethylamino)ethyl]-6-phenylsulfanyl-2-N-(5-thiophen-2-yl-1,3-thiazol-2-yl)-1,3,5-triazine-2,4-diamine;4-N-(3-morpholin-4-ylpropyl)-6-phenylsulfanyl-2-N-(5-phenyl-1,3-thiazol-2-yl)-1,3,5-triazine-2,4-diamine;4-N-(3-morpholin-4-ylpropyl)-6-phenylsulfanyl-2-N-(5-thiophen-2-yl-1,3-thiazol-2-yl)-1,3,5-triazine-2,4-diamine;5-phenyl-N-(4-phenylsulfanyl-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)-1,3-thiazol-2-amine;N-(4-phenylsulfanyl-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)-5-thiophen-2-yl-1,3-thiazol-2-amine

C133H136N40O2S14 — CID 157408794

About 4-N-[2-(dimethylamino)ethyl]-2-N-(3-phenyl-2H-pyrrol-5-yl)-6-phenylsulfanyl-1,3,5-triazine-2,4-diamine;4-N-[2-(dimethylamino)ethyl]-6-phenylsulfanyl-2-N-(5-thiophen-2-yl-1,3-thiazol-2-yl)-1,3,5-triazine-2,4-diamine;4-N-(3-morpholin-4-ylpropyl)-6-phenylsulfanyl-2-N-(5-phenyl-1,3-thiazol-2-yl)-1,3,5-triazine-2,4-diamine;4-N-(3-morpholin-4-ylpropyl)-6-phenylsulfanyl-2-N-(5-thiophen-2-yl-1,3-thiazol-2-yl)-1,3,5-triazine-2,4-diamine;5-phenyl-N-(4-phenylsulfanyl-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)-1,3-thiazol-2-amine;N-(4-phenylsulfanyl-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)-5-thiophen-2-yl-1,3-thiazol-2-amine

4-N-[2-(dimethylamino)ethyl]-2-N-(3-phenyl-2H-pyrrol-5-yl)-6-phenylsulfanyl-1,3,5-triazine-2,4-diamine;4-N-[2-(dimethylamino)ethyl]-6-phenylsulfanyl-2-N-(5-thiophen-2-yl-1,3-thiazol-2-yl)-1,3,5-triazine-2,4-diamine;4-N-(3-morpholin-4-ylpropyl)-6-phenylsulfanyl-2-N-(5-phenyl-1,3-thiazol-2-yl)-1,3,5-triazine-2,4-diamine;4-N-(3-morpholin-4-ylpropyl)-6-phenylsulfanyl-2-N-(5-thiophen-2-yl-1,3-thiazol-2-yl)-1,3,5-triazine-2,4-diamine;5-phenyl-N-(4-phenylsulfanyl-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)-1,3-thiazol-2-amine;N-(4-phenylsulfanyl-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)-5-thiophen-2-yl-1,3-thiazol-2-amine (PubChem CID 157408794) has the molecular formula C133H136N40O2S14 and a molecular weight of 2775.77 g/mol. Its IUPAC name is 4-N-[2-(dimethylamino)ethyl]-2-N-(3-phenyl-2H-pyrrol-5-yl)-6-phenylsulfanyl-1,3,5-triazine-2,4-diamine;4-N-[2-(dimethylamino)ethyl]-6-phenylsulfanyl-2-N-(5-thiophen-2-yl-1,3-thiazol-2-yl)-1,3,5-triazine-2,4-diamine;4-N-(3-morpholin-4-ylpropyl)-6-phenylsulfanyl-2-N-(5-phenyl-1,3-thiazol-2-yl)-1,3,5-triazine-2,4-diamine;4-N-(3-morpholin-4-ylpropyl)-6-phenylsulfanyl-2-N-(5-thiophen-2-yl-1,3-thiazol-2-yl)-1,3,5-triazine-2,4-diamine;5-phenyl-N-(4-phenylsulfanyl-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)-1,3-thiazol-2-amine;N-(4-phenylsulfanyl-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)-5-thiophen-2-yl-1,3-thiazol-2-amine.

Molecular Properties

• Compound Name: 4-N-[2-(dimethylamino)ethyl]-2-N-(3-phenyl-2H-pyrrol-5-yl)-6-phenylsulfanyl-1,3,5-triazine-2,4-diamine;4-N-[2-(dimethylamino)ethyl]-6-phenylsulfanyl-2-N-(5-thiophen-2-yl-1,3-thiazol-2-yl)-1,3,5-triazine-2,4-diamine;4-N-(3-morpholin-4-ylpropyl)-6-phenylsulfanyl-2-N-(5-phenyl-1,3-thiazol-2-yl)-1,3,5-triazine-2,4-diamine;4-N-(3-morpholin-4-ylpropyl)-6-phenylsulfanyl-2-N-(5-thiophen-2-yl-1,3-thiazol-2-yl)-1,3,5-triazine-2,4-diamine;5-phenyl-N-(4-phenylsulfanyl-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)-1,3-thiazol-2-amine;N-(4-phenylsulfanyl-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)-5-thiophen-2-yl-1,3-thiazol-2-amine
• PubChem CID: 157408794
• Molecular Formula: C133H136N40O2S14
• Molecular Weight: 2775.77 g/mol
• Exact Mass: 2772.79
• IUPAC Name: 4-N-[2-(dimethylamino)ethyl]-2-N-(3-phenyl-2H-pyrrol-5-yl)-6-phenylsulfanyl-1,3,5-triazine-2,4-diamine;4-N-[2-(dimethylamino)ethyl]-6-phenylsulfanyl-2-N-(5-thiophen-2-yl-1,3-thiazol-2-yl)-1,3,5-triazine-2,4-diamine;4-N-(3-morpholin-4-ylpropyl)-6-phenylsulfanyl-2-N-(5-phenyl-1,3-thiazol-2-yl)-1,3,5-triazine-2,4-diamine;4-N-(3-morpholin-4-ylpropyl)-6-phenylsulfanyl-2-N-(5-thiophen-2-yl-1,3-thiazol-2-yl)-1,3,5-triazine-2,4-diamine;5-phenyl-N-(4-phenylsulfanyl-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)-1,3-thiazol-2-amine;N-(4-phenylsulfanyl-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)-5-thiophen-2-yl-1,3-thiazol-2-amine
• SMILES: CN(C)CCNc1nc(NC2=NCC(c3ccccc3)=C2)nc(Sc2ccccc2)n1.CN(C)CCNc1nc(Nc2ncc(-c3cccs3)s2)nc(Sc2ccccc2)n1.c1ccc(Sc2nc(NCCCN3CCOCC3)nc(Nc3ncc(-c4ccccc4)s3)n2)cc1.c1ccc(Sc2nc(NCCCN3CCOCC3)nc(Nc3ncc(-c4cccs4)s3)n2)cc1.c1ccc(Sc2nc(Nc3ncc(-c4ccccc4)s3)nc(N3CCCC3)n2)cc1.c1ccc(Sc2nc(Nc3ncc(-c4cccs4)s3)nc(N3CCCC3)n2)cc1
• InChI: InChI=1S/C25H27N7OS2.C23H25N7OS3.C23H25N7S.C22H20N6S2.C20H21N7S3.C20H18N6S3/c1-3-8-19(9-4-1)21-18-27-24(35-21)30-23-28-22(26-12-7-13-32-14-16-33-17-15-32)29-25(31-23)34-20-10-5-2-6-11-20;1-2-6-17(7-3-1)33-23-27-20(24-9-5-10-30-11-13-31-14-12-30)26-21(29-23)28-22-25-16-19(34-22)18-8-4-15-32-18;1-30(2)14-13-24-21-27-22(29-23(28-21)31-19-11-7-4-8-12-19)26-20-15-18(16-25-20)17-9-5-3-6-10-17;1-3-9-16(10-4-1)18-15-23-21(30-18)25-19-24-20(28-13-7-8-14-28)27-22(26-19)29-17-11-5-2-6-12-17;1-27(2)11-10-21-17-23-18(26-20(24-17)29-14-7-4-3-5-8-14)25-19-22-13-16(30-19)15-9-6-12-28-15;1-2-7-14(8-3-1)28-20-24-17(22-18(25-20)26-10-4-5-11-26)23-19-21-13-16(29-19)15-9-6-12-27-15/h1-6,8-11,18H,7,12-17H2,(H2,26,27,28,29,30,31);1-4,6-8,15-16H,5,9-14H2,(H2,24,25,26,27,28,29);3-12,15H,13-14,16H2,1-2H3,(H2,24,25,26,27,28,29);1-6,9-12,15H,7-8,13-14H2,(H,23,24,25,26,27);3-9,12-13H,10-11H2,1-2H3,(H2,21,22,23,24,25,26);1-3,6-9,12-13H,4-5,10-11H2,(H,21,22,23,24,25)
• InChIKey: BOAPHKVQEXSTRO-UHFFFAOYSA-N
• XLogP: 29.98
• TPSA: 467.03 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 56
• Rotatable Bonds: 49
• Heavy Atoms: 189
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2775.77
LogP ≤ 5	29.98
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	56

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 4-N-[2-(dimethylamino)ethyl]-2-N-(3-phenyl-2H-pyrrol-5-yl)-6-phenylsulfanyl-1,3,5-triazine-2,4-diamine;4-N-[2-(dimethylamino)ethyl]-6-phenylsulfanyl-2-N-(5-thiophen-2-yl-1,3-thiazol-2-yl)-1,3,5-triazine-2,4-diamine;4-N-(3-morpholin-4-ylpropyl)-6-phenylsulfanyl-2-N-(5-phenyl-1,3-thiazol-2-yl)-1,3,5-triazine-2,4-diamine;4-N-(3-morpholin-4-ylpropyl)-6-phenylsulfanyl-2-N-(5-thiophen-2-yl-1,3-thiazol-2-yl)-1,3,5-triazine-2,4-diamine;5-phenyl-N-(4-phenylsulfanyl-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)-1,3-thiazol-2-amine;N-(4-phenylsulfanyl-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)-5-thiophen-2-yl-1,3-thiazol-2-amine?

The IUPAC name of 4-N-[2-(dimethylamino)ethyl]-2-N-(3-phenyl-2H-pyrrol-5-yl)-6-phenylsulfanyl-1,3,5-triazine-2,4-diamine;4-N-[2-(dimethylamino)ethyl]-6-phenylsulfanyl-2-N-(5-thiophen-2-yl-1,3-thiazol-2-yl)-1,3,5-triazine-2,4-diamine;4-N-(3-morpholin-4-ylpropyl)-6-phenylsulfanyl-2-N-(5-phenyl-1,3-thiazol-2-yl)-1,3,5-triazine-2,4-diamine;4-N-(3-morpholin-4-ylpropyl)-6-phenylsulfanyl-2-N-(5-thiophen-2-yl-1,3-thiazol-2-yl)-1,3,5-triazine-2,4-diamine;5-phenyl-N-(4-phenylsulfanyl-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)-1,3-thiazol-2-amine;N-(4-phenylsulfanyl-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)-5-thiophen-2-yl-1,3-thiazol-2-amine (CID 157408794) is 4-N-[2-(dimethylamino)ethyl]-2-N-(3-phenyl-2H-pyrrol-5-yl)-6-phenylsulfanyl-1,3,5-triazine-2,4-diamine;4-N-[2-(dimethylamino)ethyl]-6-phenylsulfanyl-2-N-(5-thiophen-2-yl-1,3-thiazol-2-yl)-1,3,5-triazine-2,4-diamine;4-N-(3-morpholin-4-ylpropyl)-6-phenylsulfanyl-2-N-(5-phenyl-1,3-thiazol-2-yl)-1,3,5-triazine-2,4-diamine;4-N-(3-morpholin-4-ylpropyl)-6-phenylsulfanyl-2-N-(5-thiophen-2-yl-1,3-thiazol-2-yl)-1,3,5-triazine-2,4-diamine;5-phenyl-N-(4-phenylsulfanyl-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)-1,3-thiazol-2-amine;N-(4-phenylsulfanyl-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)-5-thiophen-2-yl-1,3-thiazol-2-amine.

What is the SMILES notation for 4-N-[2-(dimethylamino)ethyl]-2-N-(3-phenyl-2H-pyrrol-5-yl)-6-phenylsulfanyl-1,3,5-triazine-2,4-diamine;4-N-[2-(dimethylamino)ethyl]-6-phenylsulfanyl-2-N-(5-thiophen-2-yl-1,3-thiazol-2-yl)-1,3,5-triazine-2,4-diamine;4-N-(3-morpholin-4-ylpropyl)-6-phenylsulfanyl-2-N-(5-phenyl-1,3-thiazol-2-yl)-1,3,5-triazine-2,4-diamine;4-N-(3-morpholin-4-ylpropyl)-6-phenylsulfanyl-2-N-(5-thiophen-2-yl-1,3-thiazol-2-yl)-1,3,5-triazine-2,4-diamine;5-phenyl-N-(4-phenylsulfanyl-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)-1,3-thiazol-2-amine;N-(4-phenylsulfanyl-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)-5-thiophen-2-yl-1,3-thiazol-2-amine?

The canonical SMILES for 4-N-[2-(dimethylamino)ethyl]-2-N-(3-phenyl-2H-pyrrol-5-yl)-6-phenylsulfanyl-1,3,5-triazine-2,4-diamine;4-N-[2-(dimethylamino)ethyl]-6-phenylsulfanyl-2-N-(5-thiophen-2-yl-1,3-thiazol-2-yl)-1,3,5-triazine-2,4-diamine;4-N-(3-morpholin-4-ylpropyl)-6-phenylsulfanyl-2-N-(5-phenyl-1,3-thiazol-2-yl)-1,3,5-triazine-2,4-diamine;4-N-(3-morpholin-4-ylpropyl)-6-phenylsulfanyl-2-N-(5-thiophen-2-yl-1,3-thiazol-2-yl)-1,3,5-triazine-2,4-diamine;5-phenyl-N-(4-phenylsulfanyl-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)-1,3-thiazol-2-amine;N-(4-phenylsulfanyl-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)-5-thiophen-2-yl-1,3-thiazol-2-amine is CN(C)CCNc1nc(NC2=NCC(c3ccccc3)=C2)nc(Sc2ccccc2)n1.CN(C)CCNc1nc(Nc2ncc(-c3cccs3)s2)nc(Sc2ccccc2)n1.c1ccc(Sc2nc(NCCCN3CCOCC3)nc(Nc3ncc(-c4ccccc4)s3)n2)cc1.c1ccc(Sc2nc(NCCCN3CCOCC3)nc(Nc3ncc(-c4cccs4)s3)n2)cc1.c1ccc(Sc2nc(Nc3ncc(-c4ccccc4)s3)nc(N3CCCC3)n2)cc1.c1ccc(Sc2nc(Nc3ncc(-c4cccs4)s3)nc(N3CCCC3)n2)cc1.

What is the InChIKey of 4-N-[2-(dimethylamino)ethyl]-2-N-(3-phenyl-2H-pyrrol-5-yl)-6-phenylsulfanyl-1,3,5-triazine-2,4-diamine;4-N-[2-(dimethylamino)ethyl]-6-phenylsulfanyl-2-N-(5-thiophen-2-yl-1,3-thiazol-2-yl)-1,3,5-triazine-2,4-diamine;4-N-(3-morpholin-4-ylpropyl)-6-phenylsulfanyl-2-N-(5-phenyl-1,3-thiazol-2-yl)-1,3,5-triazine-2,4-diamine;4-N-(3-morpholin-4-ylpropyl)-6-phenylsulfanyl-2-N-(5-thiophen-2-yl-1,3-thiazol-2-yl)-1,3,5-triazine-2,4-diamine;5-phenyl-N-(4-phenylsulfanyl-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)-1,3-thiazol-2-amine;N-(4-phenylsulfanyl-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)-5-thiophen-2-yl-1,3-thiazol-2-amine?

The InChIKey is BOAPHKVQEXSTRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N7OS2.C23H25N7OS3.C23H25N7S.C22H20N6S2.C20H21N7S3.C20H18N6S3/c1-3-8-19(9-4-1)21-18-27-24(35-21)30-23-28-22(26-12-7-13-32-14-16-33-17-15-32)29-25(31-23)34-20-10-5-2-6-11-20;1-2-6-17(7-3-1)33-23-27-20(24-9-5-10-30-11-13-31-14-12-30)26-21(29-23)28-22-25-16-19(34-22)18-8-4-15-32-18;1-30(2)14-13-24-21-27-22(29-23(28-21)31-19-11-7-4-8-12-19)26-20-15-18(16-25-20)17-9-5-3-6-10-17;1-3-9-16(10-4-1)18-15-23-21(30-18)25-19-24-20(28-13-7-8-14-28)27-22(26-19)29-17-11-5-2-6-12-17;1-27(2)11-10-21-17-23-18(26-20(24-17)29-14-7-4-3-5-8-14)25-19-22-13-16(30-19)15-9-6-12-28-15;1-2-7-14(8-3-1)28-20-24-17(22-18(25-20)26-10-4-5-11-26)23-19-21-13-16(29-19)15-9-6-12-27-15/h1-6,8-11,18H,7,12-17H2,(H2,26,27,28,29,30,31);1-4,6-8,15-16H,5,9-14H2,(H2,24,25,26,27,28,29);3-12,15H,13-14,16H2,1-2H3,(H2,24,25,26,27,28,29);1-6,9-12,15H,7-8,13-14H2,(H,23,24,25,26,27);3-9,12-13H,10-11H2,1-2H3,(H2,21,22,23,24,25,26);1-3,6-9,12-13H,4-5,10-11H2,(H,21,22,23,24,25).

What are the key properties of 4-N-[2-(dimethylamino)ethyl]-2-N-(3-phenyl-2H-pyrrol-5-yl)-6-phenylsulfanyl-1,3,5-triazine-2,4-diamine;4-N-[2-(dimethylamino)ethyl]-6-phenylsulfanyl-2-N-(5-thiophen-2-yl-1,3-thiazol-2-yl)-1,3,5-triazine-2,4-diamine;4-N-(3-morpholin-4-ylpropyl)-6-phenylsulfanyl-2-N-(5-phenyl-1,3-thiazol-2-yl)-1,3,5-triazine-2,4-diamine;4-N-(3-morpholin-4-ylpropyl)-6-phenylsulfanyl-2-N-(5-thiophen-2-yl-1,3-thiazol-2-yl)-1,3,5-triazine-2,4-diamine;5-phenyl-N-(4-phenylsulfanyl-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)-1,3-thiazol-2-amine;N-(4-phenylsulfanyl-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)-5-thiophen-2-yl-1,3-thiazol-2-amine?

4-N-[2-(dimethylamino)ethyl]-2-N-(3-phenyl-2H-pyrrol-5-yl)-6-phenylsulfanyl-1,3,5-triazine-2,4-diamine;4-N-[2-(dimethylamino)ethyl]-6-phenylsulfanyl-2-N-(5-thiophen-2-yl-1,3-thiazol-2-yl)-1,3,5-triazine-2,4-diamine;4-N-(3-morpholin-4-ylpropyl)-6-phenylsulfanyl-2-N-(5-phenyl-1,3-thiazol-2-yl)-1,3,5-triazine-2,4-diamine;4-N-(3-morpholin-4-ylpropyl)-6-phenylsulfanyl-2-N-(5-thiophen-2-yl-1,3-thiazol-2-yl)-1,3,5-triazine-2,4-diamine;5-phenyl-N-(4-phenylsulfanyl-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)-1,3-thiazol-2-amine;N-(4-phenylsulfanyl-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)-5-thiophen-2-yl-1,3-thiazol-2-amine has a molecular weight of 2775.77 g/mol, XLogP of 29.98, 49 rotatable bonds, 10 hydrogen bond donors, and 56 hydrogen bond acceptors.

Where does this data come from?

All data for 4-N-[2-(dimethylamino)ethyl]-2-N-(3-phenyl-2H-pyrrol-5-yl)-6-phenylsulfanyl-1,3,5-triazine-2,4-diamine;4-N-[2-(dimethylamino)ethyl]-6-phenylsulfanyl-2-N-(5-thiophen-2-yl-1,3-thiazol-2-yl)-1,3,5-triazine-2,4-diamine;4-N-(3-morpholin-4-ylpropyl)-6-phenylsulfanyl-2-N-(5-phenyl-1,3-thiazol-2-yl)-1,3,5-triazine-2,4-diamine;4-N-(3-morpholin-4-ylpropyl)-6-phenylsulfanyl-2-N-(5-thiophen-2-yl-1,3-thiazol-2-yl)-1,3,5-triazine-2,4-diamine;5-phenyl-N-(4-phenylsulfanyl-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)-1,3-thiazol-2-amine;N-(4-phenylsulfanyl-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)-5-thiophen-2-yl-1,3-thiazol-2-amine is sourced from PubChem (CID 157408794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).