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

C117H119N35O2S10 — CID 158339688

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

4-N-[2-(dimethylamino)ethyl]-6-phenylsulfanyl-2-N-(3-thiophen-2-yl-2H-pyrrol-5-yl)-1,3,5-triazine-2,4-diamine;4-N-(3-morpholin-4-ylpropyl)-6-phenylsulfanyl-2-N-(3-thiophen-2-yl-2H-pyrrol-5-yl)-1,3,5-triazine-2,4-diamine;5-phenyl-N-[4-phenylsulfanyl-6-(4-pyridin-4-ylpiperazin-1-yl)-1,3,5-triazin-2-yl]-1,3-thiazol-2-amine;2-[4-[4-phenylsulfanyl-6-[(5-phenyl-1,3-thiazol-2-yl)amino]-1,3,5-triazin-2-yl]piperazin-1-yl]ethanol;4-phenylsulfanyl-6-pyrrolidin-1-yl-N-(3-thiophen-2-yl-2H-pyrrol-5-yl)-1,3,5-triazin-2-amine (PubChem CID 158339688) has the molecular formula C117H119N35O2S10 and a molecular weight of 2368.15 g/mol. Its IUPAC name is 4-N-[2-(dimethylamino)ethyl]-6-phenylsulfanyl-2-N-(3-thiophen-2-yl-2H-pyrrol-5-yl)-1,3,5-triazine-2,4-diamine;4-N-(3-morpholin-4-ylpropyl)-6-phenylsulfanyl-2-N-(3-thiophen-2-yl-2H-pyrrol-5-yl)-1,3,5-triazine-2,4-diamine;5-phenyl-N-[4-phenylsulfanyl-6-(4-pyridin-4-ylpiperazin-1-yl)-1,3,5-triazin-2-yl]-1,3-thiazol-2-amine;2-[4-[4-phenylsulfanyl-6-[(5-phenyl-1,3-thiazol-2-yl)amino]-1,3,5-triazin-2-yl]piperazin-1-yl]ethanol;4-phenylsulfanyl-6-pyrrolidin-1-yl-N-(3-thiophen-2-yl-2H-pyrrol-5-yl)-1,3,5-triazin-2-amine.

Molecular Properties

• Compound Name: 4-N-[2-(dimethylamino)ethyl]-6-phenylsulfanyl-2-N-(3-thiophen-2-yl-2H-pyrrol-5-yl)-1,3,5-triazine-2,4-diamine;4-N-(3-morpholin-4-ylpropyl)-6-phenylsulfanyl-2-N-(3-thiophen-2-yl-2H-pyrrol-5-yl)-1,3,5-triazine-2,4-diamine;5-phenyl-N-[4-phenylsulfanyl-6-(4-pyridin-4-ylpiperazin-1-yl)-1,3,5-triazin-2-yl]-1,3-thiazol-2-amine;2-[4-[4-phenylsulfanyl-6-[(5-phenyl-1,3-thiazol-2-yl)amino]-1,3,5-triazin-2-yl]piperazin-1-yl]ethanol;4-phenylsulfanyl-6-pyrrolidin-1-yl-N-(3-thiophen-2-yl-2H-pyrrol-5-yl)-1,3,5-triazin-2-amine
• PubChem CID: 158339688
• Molecular Formula: C117H119N35O2S10
• Molecular Weight: 2368.15 g/mol
• Exact Mass: 2365.75
• IUPAC Name: 4-N-[2-(dimethylamino)ethyl]-6-phenylsulfanyl-2-N-(3-thiophen-2-yl-2H-pyrrol-5-yl)-1,3,5-triazine-2,4-diamine;4-N-(3-morpholin-4-ylpropyl)-6-phenylsulfanyl-2-N-(3-thiophen-2-yl-2H-pyrrol-5-yl)-1,3,5-triazine-2,4-diamine;5-phenyl-N-[4-phenylsulfanyl-6-(4-pyridin-4-ylpiperazin-1-yl)-1,3,5-triazin-2-yl]-1,3-thiazol-2-amine;2-[4-[4-phenylsulfanyl-6-[(5-phenyl-1,3-thiazol-2-yl)amino]-1,3,5-triazin-2-yl]piperazin-1-yl]ethanol;4-phenylsulfanyl-6-pyrrolidin-1-yl-N-(3-thiophen-2-yl-2H-pyrrol-5-yl)-1,3,5-triazin-2-amine
• SMILES: C1=C(c2cccs2)CN=C1Nc1nc(NCCCN2CCOCC2)nc(Sc2ccccc2)n1.C1=C(c2cccs2)CN=C1Nc1nc(Sc2ccccc2)nc(N2CCCC2)n1.CN(C)CCNc1nc(NC2=NCC(c3cccs3)=C2)nc(Sc2ccccc2)n1.OCCN1CCN(c2nc(Nc3ncc(-c4ccccc4)s3)nc(Sc3ccccc3)n2)CC1.c1ccc(Sc2nc(Nc3ncc(-c4ccccc4)s3)nc(N3CCN(c4ccncc4)CC3)n2)cc1
• InChI: InChI=1S/C27H24N8S2.C24H25N7OS2.C24H27N7OS2.C21H23N7S2.C21H20N6S2/c1-3-7-20(8-4-1)23-19-29-26(37-23)31-24-30-25(33-27(32-24)36-22-9-5-2-6-10-22)35-17-15-34(16-18-35)21-11-13-28-14-12-21;32-16-15-30-11-13-31(14-12-30)22-26-21(28-24(29-22)33-19-9-5-2-6-10-19)27-23-25-17-20(34-23)18-7-3-1-4-8-18;1-2-6-19(7-3-1)34-24-29-22(25-9-5-10-31-11-13-32-14-12-31)28-23(30-24)27-21-16-18(17-26-21)20-8-4-15-33-20;1-28(2)11-10-22-19-25-20(27-21(26-19)30-16-7-4-3-5-8-16)24-18-13-15(14-23-18)17-9-6-12-29-17;1-2-7-16(8-3-1)29-21-25-19(24-20(26-21)27-10-4-5-11-27)23-18-13-15(14-22-18)17-9-6-12-28-17/h1-14,19H,15-18H2,(H,29,30,31,32,33);1-10,17,32H,11-16H2,(H,25,26,27,28,29);1-4,6-8,15-16H,5,9-14,17H2,(H2,25,26,27,28,29,30);3-9,12-13H,10-11,14H2,1-2H3,(H2,22,23,24,25,26,27);1-3,6-9,12-13H,4-5,10-11,14H2,(H,22,23,24,25,26)
• InChIKey: GQZWNSXLDWGBKK-UHFFFAOYSA-N
• XLogP: 22.30
• TPSA: 405.45 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 47
• Rotatable Bonds: 37
• Heavy Atoms: 164
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2368.15
LogP ≤ 5	22.30
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	47

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]-6-phenylsulfanyl-2-N-(3-thiophen-2-yl-2H-pyrrol-5-yl)-1,3,5-triazine-2,4-diamine;4-N-(3-morpholin-4-ylpropyl)-6-phenylsulfanyl-2-N-(3-thiophen-2-yl-2H-pyrrol-5-yl)-1,3,5-triazine-2,4-diamine;5-phenyl-N-[4-phenylsulfanyl-6-(4-pyridin-4-ylpiperazin-1-yl)-1,3,5-triazin-2-yl]-1,3-thiazol-2-amine;2-[4-[4-phenylsulfanyl-6-[(5-phenyl-1,3-thiazol-2-yl)amino]-1,3,5-triazin-2-yl]piperazin-1-yl]ethanol;4-phenylsulfanyl-6-pyrrolidin-1-yl-N-(3-thiophen-2-yl-2H-pyrrol-5-yl)-1,3,5-triazin-2-amine?

The IUPAC name of 4-N-[2-(dimethylamino)ethyl]-6-phenylsulfanyl-2-N-(3-thiophen-2-yl-2H-pyrrol-5-yl)-1,3,5-triazine-2,4-diamine;4-N-(3-morpholin-4-ylpropyl)-6-phenylsulfanyl-2-N-(3-thiophen-2-yl-2H-pyrrol-5-yl)-1,3,5-triazine-2,4-diamine;5-phenyl-N-[4-phenylsulfanyl-6-(4-pyridin-4-ylpiperazin-1-yl)-1,3,5-triazin-2-yl]-1,3-thiazol-2-amine;2-[4-[4-phenylsulfanyl-6-[(5-phenyl-1,3-thiazol-2-yl)amino]-1,3,5-triazin-2-yl]piperazin-1-yl]ethanol;4-phenylsulfanyl-6-pyrrolidin-1-yl-N-(3-thiophen-2-yl-2H-pyrrol-5-yl)-1,3,5-triazin-2-amine (CID 158339688) is 4-N-[2-(dimethylamino)ethyl]-6-phenylsulfanyl-2-N-(3-thiophen-2-yl-2H-pyrrol-5-yl)-1,3,5-triazine-2,4-diamine;4-N-(3-morpholin-4-ylpropyl)-6-phenylsulfanyl-2-N-(3-thiophen-2-yl-2H-pyrrol-5-yl)-1,3,5-triazine-2,4-diamine;5-phenyl-N-[4-phenylsulfanyl-6-(4-pyridin-4-ylpiperazin-1-yl)-1,3,5-triazin-2-yl]-1,3-thiazol-2-amine;2-[4-[4-phenylsulfanyl-6-[(5-phenyl-1,3-thiazol-2-yl)amino]-1,3,5-triazin-2-yl]piperazin-1-yl]ethanol;4-phenylsulfanyl-6-pyrrolidin-1-yl-N-(3-thiophen-2-yl-2H-pyrrol-5-yl)-1,3,5-triazin-2-amine.

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

The canonical SMILES for 4-N-[2-(dimethylamino)ethyl]-6-phenylsulfanyl-2-N-(3-thiophen-2-yl-2H-pyrrol-5-yl)-1,3,5-triazine-2,4-diamine;4-N-(3-morpholin-4-ylpropyl)-6-phenylsulfanyl-2-N-(3-thiophen-2-yl-2H-pyrrol-5-yl)-1,3,5-triazine-2,4-diamine;5-phenyl-N-[4-phenylsulfanyl-6-(4-pyridin-4-ylpiperazin-1-yl)-1,3,5-triazin-2-yl]-1,3-thiazol-2-amine;2-[4-[4-phenylsulfanyl-6-[(5-phenyl-1,3-thiazol-2-yl)amino]-1,3,5-triazin-2-yl]piperazin-1-yl]ethanol;4-phenylsulfanyl-6-pyrrolidin-1-yl-N-(3-thiophen-2-yl-2H-pyrrol-5-yl)-1,3,5-triazin-2-amine is C1=C(c2cccs2)CN=C1Nc1nc(NCCCN2CCOCC2)nc(Sc2ccccc2)n1.C1=C(c2cccs2)CN=C1Nc1nc(Sc2ccccc2)nc(N2CCCC2)n1.CN(C)CCNc1nc(NC2=NCC(c3cccs3)=C2)nc(Sc2ccccc2)n1.OCCN1CCN(c2nc(Nc3ncc(-c4ccccc4)s3)nc(Sc3ccccc3)n2)CC1.c1ccc(Sc2nc(Nc3ncc(-c4ccccc4)s3)nc(N3CCN(c4ccncc4)CC3)n2)cc1.

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

The InChIKey is GQZWNSXLDWGBKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H24N8S2.C24H25N7OS2.C24H27N7OS2.C21H23N7S2.C21H20N6S2/c1-3-7-20(8-4-1)23-19-29-26(37-23)31-24-30-25(33-27(32-24)36-22-9-5-2-6-10-22)35-17-15-34(16-18-35)21-11-13-28-14-12-21;32-16-15-30-11-13-31(14-12-30)22-26-21(28-24(29-22)33-19-9-5-2-6-10-19)27-23-25-17-20(34-23)18-7-3-1-4-8-18;1-2-6-19(7-3-1)34-24-29-22(25-9-5-10-31-11-13-32-14-12-31)28-23(30-24)27-21-16-18(17-26-21)20-8-4-15-33-20;1-28(2)11-10-22-19-25-20(27-21(26-19)30-16-7-4-3-5-8-16)24-18-13-15(14-23-18)17-9-6-12-29-17;1-2-7-16(8-3-1)29-21-25-19(24-20(26-21)27-10-4-5-11-27)23-18-13-15(14-22-18)17-9-6-12-28-17/h1-14,19H,15-18H2,(H,29,30,31,32,33);1-10,17,32H,11-16H2,(H,25,26,27,28,29);1-4,6-8,15-16H,5,9-14,17H2,(H2,25,26,27,28,29,30);3-9,12-13H,10-11,14H2,1-2H3,(H2,22,23,24,25,26,27);1-3,6-9,12-13H,4-5,10-11,14H2,(H,22,23,24,25,26).

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

4-N-[2-(dimethylamino)ethyl]-6-phenylsulfanyl-2-N-(3-thiophen-2-yl-2H-pyrrol-5-yl)-1,3,5-triazine-2,4-diamine;4-N-(3-morpholin-4-ylpropyl)-6-phenylsulfanyl-2-N-(3-thiophen-2-yl-2H-pyrrol-5-yl)-1,3,5-triazine-2,4-diamine;5-phenyl-N-[4-phenylsulfanyl-6-(4-pyridin-4-ylpiperazin-1-yl)-1,3,5-triazin-2-yl]-1,3-thiazol-2-amine;2-[4-[4-phenylsulfanyl-6-[(5-phenyl-1,3-thiazol-2-yl)amino]-1,3,5-triazin-2-yl]piperazin-1-yl]ethanol;4-phenylsulfanyl-6-pyrrolidin-1-yl-N-(3-thiophen-2-yl-2H-pyrrol-5-yl)-1,3,5-triazin-2-amine has a molecular weight of 2368.15 g/mol, XLogP of 22.30, 37 rotatable bonds, 8 hydrogen bond donors, and 47 hydrogen bond acceptors.

Where does this data come from?

All data for 4-N-[2-(dimethylamino)ethyl]-6-phenylsulfanyl-2-N-(3-thiophen-2-yl-2H-pyrrol-5-yl)-1,3,5-triazine-2,4-diamine;4-N-(3-morpholin-4-ylpropyl)-6-phenylsulfanyl-2-N-(3-thiophen-2-yl-2H-pyrrol-5-yl)-1,3,5-triazine-2,4-diamine;5-phenyl-N-[4-phenylsulfanyl-6-(4-pyridin-4-ylpiperazin-1-yl)-1,3,5-triazin-2-yl]-1,3-thiazol-2-amine;2-[4-[4-phenylsulfanyl-6-[(5-phenyl-1,3-thiazol-2-yl)amino]-1,3,5-triazin-2-yl]piperazin-1-yl]ethanol;4-phenylsulfanyl-6-pyrrolidin-1-yl-N-(3-thiophen-2-yl-2H-pyrrol-5-yl)-1,3,5-triazin-2-amine is sourced from PubChem (CID 158339688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).