2-[4-[[4-[(5-bromo-2-pyridinyl)amino]-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]sulfanyl]phenyl]-1-cyclopropylethanone;1-cyclopropyl-2-[4-[[4-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]sulfanyl]phenyl]ethanone;1-cyclopropyl-2-[4-[[4-(4-methylpiperazin-1-yl)-6-[(5-methyl-2-pyridinyl)amino]-1,3,5-triazin-2-yl]sulfanyl]phenyl]ethanone;1-cyclopropyl-2-[4-[[4-(4-methylpiperazin-1-yl)-6-[(4-methylpyrimidin-2-yl)amino]-1,3,5-triazin-2-yl]sulfanyl]phenyl]ethanone;1-cyclopropyl-2-[4-[[4-(4-methylpiperazin-1-yl)-6-(1,3,4-thiadiazol-2-ylamino)-1,3,5-triazin-2-yl]sulfanyl]phenyl]ethanone

C118H136BrN37O5S7 — CID 158188523

About 2-[4-[[4-[(5-bromo-2-pyridinyl)amino]-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]sulfanyl]phenyl]-1-cyclopropylethanone;1-cyclopropyl-2-[4-[[4-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]sulfanyl]phenyl]ethanone;1-cyclopropyl-2-[4-[[4-(4-methylpiperazin-1-yl)-6-[(5-methyl-2-pyridinyl)amino]-1,3,5-triazin-2-yl]sulfanyl]phenyl]ethanone;1-cyclopropyl-2-[4-[[4-(4-methylpiperazin-1-yl)-6-[(4-methylpyrimidin-2-yl)amino]-1,3,5-triazin-2-yl]sulfanyl]phenyl]ethanone;1-cyclopropyl-2-[4-[[4-(4-methylpiperazin-1-yl)-6-(1,3,4-thiadiazol-2-ylamino)-1,3,5-triazin-2-yl]sulfanyl]phenyl]ethanone

2-[4-[[4-[(5-bromo-2-pyridinyl)amino]-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]sulfanyl]phenyl]-1-cyclopropylethanone;1-cyclopropyl-2-[4-[[4-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]sulfanyl]phenyl]ethanone;1-cyclopropyl-2-[4-[[4-(4-methylpiperazin-1-yl)-6-[(5-methyl-2-pyridinyl)amino]-1,3,5-triazin-2-yl]sulfanyl]phenyl]ethanone;1-cyclopropyl-2-[4-[[4-(4-methylpiperazin-1-yl)-6-[(4-methylpyrimidin-2-yl)amino]-1,3,5-triazin-2-yl]sulfanyl]phenyl]ethanone;1-cyclopropyl-2-[4-[[4-(4-methylpiperazin-1-yl)-6-(1,3,4-thiadiazol-2-ylamino)-1,3,5-triazin-2-yl]sulfanyl]phenyl]ethanone (PubChem CID 158188523) has the molecular formula C118H136BrN37O5S7 and a molecular weight of 2457.01 g/mol. Its IUPAC name is 2-[4-[[4-[(5-bromo-2-pyridinyl)amino]-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]sulfanyl]phenyl]-1-cyclopropylethanone;1-cyclopropyl-2-[4-[[4-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]sulfanyl]phenyl]ethanone;1-cyclopropyl-2-[4-[[4-(4-methylpiperazin-1-yl)-6-[(5-methyl-2-pyridinyl)amino]-1,3,5-triazin-2-yl]sulfanyl]phenyl]ethanone;1-cyclopropyl-2-[4-[[4-(4-methylpiperazin-1-yl)-6-[(4-methylpyrimidin-2-yl)amino]-1,3,5-triazin-2-yl]sulfanyl]phenyl]ethanone;1-cyclopropyl-2-[4-[[4-(4-methylpiperazin-1-yl)-6-(1,3,4-thiadiazol-2-ylamino)-1,3,5-triazin-2-yl]sulfanyl]phenyl]ethanone.

Molecular Properties

• Compound Name: 2-[4-[[4-[(5-bromo-2-pyridinyl)amino]-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]sulfanyl]phenyl]-1-cyclopropylethanone;1-cyclopropyl-2-[4-[[4-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]sulfanyl]phenyl]ethanone;1-cyclopropyl-2-[4-[[4-(4-methylpiperazin-1-yl)-6-[(5-methyl-2-pyridinyl)amino]-1,3,5-triazin-2-yl]sulfanyl]phenyl]ethanone;1-cyclopropyl-2-[4-[[4-(4-methylpiperazin-1-yl)-6-[(4-methylpyrimidin-2-yl)amino]-1,3,5-triazin-2-yl]sulfanyl]phenyl]ethanone;1-cyclopropyl-2-[4-[[4-(4-methylpiperazin-1-yl)-6-(1,3,4-thiadiazol-2-ylamino)-1,3,5-triazin-2-yl]sulfanyl]phenyl]ethanone
• PubChem CID: 158188523
• Molecular Formula: C118H136BrN37O5S7
• Molecular Weight: 2457.01 g/mol
• Exact Mass: 2453.88
• IUPAC Name: 2-[4-[[4-[(5-bromo-2-pyridinyl)amino]-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]sulfanyl]phenyl]-1-cyclopropylethanone;1-cyclopropyl-2-[4-[[4-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]sulfanyl]phenyl]ethanone;1-cyclopropyl-2-[4-[[4-(4-methylpiperazin-1-yl)-6-[(5-methyl-2-pyridinyl)amino]-1,3,5-triazin-2-yl]sulfanyl]phenyl]ethanone;1-cyclopropyl-2-[4-[[4-(4-methylpiperazin-1-yl)-6-[(4-methylpyrimidin-2-yl)amino]-1,3,5-triazin-2-yl]sulfanyl]phenyl]ethanone;1-cyclopropyl-2-[4-[[4-(4-methylpiperazin-1-yl)-6-(1,3,4-thiadiazol-2-ylamino)-1,3,5-triazin-2-yl]sulfanyl]phenyl]ethanone
• SMILES: CN1CCN(c2nc(Nc3ccc(Br)cn3)nc(Sc3ccc(CC(=O)C4CC4)cc3)n2)CC1.CN1CCN(c2nc(Nc3nncs3)nc(Sc3ccc(CC(=O)C4CC4)cc3)n2)CC1.Cc1ccc(Nc2nc(Sc3ccc(CC(=O)C4CC4)cc3)nc(N3CCN(C)CC3)n2)nc1.Cc1ccnc(Nc2nc(Sc3ccc(CC(=O)C4CC4)cc3)nc(N3CCN(C)CC3)n2)n1.Cc1nc(Nc2nc(Sc3ccc(CC(=O)C4CC4)cc3)nc(N3CCN(C)CC3)n2)sc1C
• InChI: InChI=1S/C25H29N7OS.C24H26BrN7OS.C24H28N8OS.C24H29N7OS2.C21H24N8OS2/c1-17-3-10-22(26-16-17)27-23-28-24(32-13-11-31(2)12-14-32)30-25(29-23)34-20-8-4-18(5-9-20)15-21(33)19-6-7-19;1-31-10-12-32(13-11-31)23-28-22(27-21-9-6-18(25)15-26-21)29-24(30-23)34-19-7-2-16(3-8-19)14-20(33)17-4-5-17;1-16-9-10-25-21(26-16)27-22-28-23(32-13-11-31(2)12-14-32)30-24(29-22)34-19-7-3-17(4-8-19)15-20(33)18-5-6-18;1-15-16(2)33-23(25-15)27-21-26-22(31-12-10-30(3)11-13-31)29-24(28-21)34-19-8-4-17(5-9-19)14-20(32)18-6-7-18;1-28-8-10-29(11-9-28)19-23-18(25-21-27-22-13-31-21)24-20(26-19)32-16-6-2-14(3-7-16)12-17(30)15-4-5-15/h3-5,8-10,16,19H,6-7,11-15H2,1-2H3,(H,26,27,28,29,30);2-3,6-9,15,17H,4-5,10-14H2,1H3,(H,26,27,28,29,30);3-4,7-10,18H,5-6,11-15H2,1-2H3,(H,25,26,27,28,29,30);4-5,8-9,18H,6-7,10-14H2,1-3H3,(H,25,26,27,28,29);2-3,6-7,13,15H,4-5,8-12H2,1H3,(H,23,24,25,26,27)
• InChIKey: FZLIVJKRCVXMCG-UHFFFAOYSA-N
• XLogP: 18.08
• TPSA: 461.48 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 49
• Rotatable Bonds: 40
• Heavy Atoms: 168
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2457.01
LogP ≤ 5	18.08
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	49

Frequently Asked Questions

What is the IUPAC name of 2-[4-[[4-[(5-bromo-2-pyridinyl)amino]-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]sulfanyl]phenyl]-1-cyclopropylethanone;1-cyclopropyl-2-[4-[[4-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]sulfanyl]phenyl]ethanone;1-cyclopropyl-2-[4-[[4-(4-methylpiperazin-1-yl)-6-[(5-methyl-2-pyridinyl)amino]-1,3,5-triazin-2-yl]sulfanyl]phenyl]ethanone;1-cyclopropyl-2-[4-[[4-(4-methylpiperazin-1-yl)-6-[(4-methylpyrimidin-2-yl)amino]-1,3,5-triazin-2-yl]sulfanyl]phenyl]ethanone;1-cyclopropyl-2-[4-[[4-(4-methylpiperazin-1-yl)-6-(1,3,4-thiadiazol-2-ylamino)-1,3,5-triazin-2-yl]sulfanyl]phenyl]ethanone?

The IUPAC name of 2-[4-[[4-[(5-bromo-2-pyridinyl)amino]-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]sulfanyl]phenyl]-1-cyclopropylethanone;1-cyclopropyl-2-[4-[[4-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]sulfanyl]phenyl]ethanone;1-cyclopropyl-2-[4-[[4-(4-methylpiperazin-1-yl)-6-[(5-methyl-2-pyridinyl)amino]-1,3,5-triazin-2-yl]sulfanyl]phenyl]ethanone;1-cyclopropyl-2-[4-[[4-(4-methylpiperazin-1-yl)-6-[(4-methylpyrimidin-2-yl)amino]-1,3,5-triazin-2-yl]sulfanyl]phenyl]ethanone;1-cyclopropyl-2-[4-[[4-(4-methylpiperazin-1-yl)-6-(1,3,4-thiadiazol-2-ylamino)-1,3,5-triazin-2-yl]sulfanyl]phenyl]ethanone (CID 158188523) is 2-[4-[[4-[(5-bromo-2-pyridinyl)amino]-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]sulfanyl]phenyl]-1-cyclopropylethanone;1-cyclopropyl-2-[4-[[4-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]sulfanyl]phenyl]ethanone;1-cyclopropyl-2-[4-[[4-(4-methylpiperazin-1-yl)-6-[(5-methyl-2-pyridinyl)amino]-1,3,5-triazin-2-yl]sulfanyl]phenyl]ethanone;1-cyclopropyl-2-[4-[[4-(4-methylpiperazin-1-yl)-6-[(4-methylpyrimidin-2-yl)amino]-1,3,5-triazin-2-yl]sulfanyl]phenyl]ethanone;1-cyclopropyl-2-[4-[[4-(4-methylpiperazin-1-yl)-6-(1,3,4-thiadiazol-2-ylamino)-1,3,5-triazin-2-yl]sulfanyl]phenyl]ethanone.

What is the SMILES notation for 2-[4-[[4-[(5-bromo-2-pyridinyl)amino]-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]sulfanyl]phenyl]-1-cyclopropylethanone;1-cyclopropyl-2-[4-[[4-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]sulfanyl]phenyl]ethanone;1-cyclopropyl-2-[4-[[4-(4-methylpiperazin-1-yl)-6-[(5-methyl-2-pyridinyl)amino]-1,3,5-triazin-2-yl]sulfanyl]phenyl]ethanone;1-cyclopropyl-2-[4-[[4-(4-methylpiperazin-1-yl)-6-[(4-methylpyrimidin-2-yl)amino]-1,3,5-triazin-2-yl]sulfanyl]phenyl]ethanone;1-cyclopropyl-2-[4-[[4-(4-methylpiperazin-1-yl)-6-(1,3,4-thiadiazol-2-ylamino)-1,3,5-triazin-2-yl]sulfanyl]phenyl]ethanone?

The canonical SMILES for 2-[4-[[4-[(5-bromo-2-pyridinyl)amino]-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]sulfanyl]phenyl]-1-cyclopropylethanone;1-cyclopropyl-2-[4-[[4-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]sulfanyl]phenyl]ethanone;1-cyclopropyl-2-[4-[[4-(4-methylpiperazin-1-yl)-6-[(5-methyl-2-pyridinyl)amino]-1,3,5-triazin-2-yl]sulfanyl]phenyl]ethanone;1-cyclopropyl-2-[4-[[4-(4-methylpiperazin-1-yl)-6-[(4-methylpyrimidin-2-yl)amino]-1,3,5-triazin-2-yl]sulfanyl]phenyl]ethanone;1-cyclopropyl-2-[4-[[4-(4-methylpiperazin-1-yl)-6-(1,3,4-thiadiazol-2-ylamino)-1,3,5-triazin-2-yl]sulfanyl]phenyl]ethanone is CN1CCN(c2nc(Nc3ccc(Br)cn3)nc(Sc3ccc(CC(=O)C4CC4)cc3)n2)CC1.CN1CCN(c2nc(Nc3nncs3)nc(Sc3ccc(CC(=O)C4CC4)cc3)n2)CC1.Cc1ccc(Nc2nc(Sc3ccc(CC(=O)C4CC4)cc3)nc(N3CCN(C)CC3)n2)nc1.Cc1ccnc(Nc2nc(Sc3ccc(CC(=O)C4CC4)cc3)nc(N3CCN(C)CC3)n2)n1.Cc1nc(Nc2nc(Sc3ccc(CC(=O)C4CC4)cc3)nc(N3CCN(C)CC3)n2)sc1C.

What is the InChIKey of 2-[4-[[4-[(5-bromo-2-pyridinyl)amino]-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]sulfanyl]phenyl]-1-cyclopropylethanone;1-cyclopropyl-2-[4-[[4-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]sulfanyl]phenyl]ethanone;1-cyclopropyl-2-[4-[[4-(4-methylpiperazin-1-yl)-6-[(5-methyl-2-pyridinyl)amino]-1,3,5-triazin-2-yl]sulfanyl]phenyl]ethanone;1-cyclopropyl-2-[4-[[4-(4-methylpiperazin-1-yl)-6-[(4-methylpyrimidin-2-yl)amino]-1,3,5-triazin-2-yl]sulfanyl]phenyl]ethanone;1-cyclopropyl-2-[4-[[4-(4-methylpiperazin-1-yl)-6-(1,3,4-thiadiazol-2-ylamino)-1,3,5-triazin-2-yl]sulfanyl]phenyl]ethanone?

The InChIKey is FZLIVJKRCVXMCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N7OS.C24H26BrN7OS.C24H28N8OS.C24H29N7OS2.C21H24N8OS2/c1-17-3-10-22(26-16-17)27-23-28-24(32-13-11-31(2)12-14-32)30-25(29-23)34-20-8-4-18(5-9-20)15-21(33)19-6-7-19;1-31-10-12-32(13-11-31)23-28-22(27-21-9-6-18(25)15-26-21)29-24(30-23)34-19-7-2-16(3-8-19)14-20(33)17-4-5-17;1-16-9-10-25-21(26-16)27-22-28-23(32-13-11-31(2)12-14-32)30-24(29-22)34-19-7-3-17(4-8-19)15-20(33)18-5-6-18;1-15-16(2)33-23(25-15)27-21-26-22(31-12-10-30(3)11-13-31)29-24(28-21)34-19-8-4-17(5-9-19)14-20(32)18-6-7-18;1-28-8-10-29(11-9-28)19-23-18(25-21-27-22-13-31-21)24-20(26-19)32-16-6-2-14(3-7-16)12-17(30)15-4-5-15/h3-5,8-10,16,19H,6-7,11-15H2,1-2H3,(H,26,27,28,29,30);2-3,6-9,15,17H,4-5,10-14H2,1H3,(H,26,27,28,29,30);3-4,7-10,18H,5-6,11-15H2,1-2H3,(H,25,26,27,28,29,30);4-5,8-9,18H,6-7,10-14H2,1-3H3,(H,25,26,27,28,29);2-3,6-7,13,15H,4-5,8-12H2,1H3,(H,23,24,25,26,27).

What are the key properties of 2-[4-[[4-[(5-bromo-2-pyridinyl)amino]-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]sulfanyl]phenyl]-1-cyclopropylethanone;1-cyclopropyl-2-[4-[[4-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]sulfanyl]phenyl]ethanone;1-cyclopropyl-2-[4-[[4-(4-methylpiperazin-1-yl)-6-[(5-methyl-2-pyridinyl)amino]-1,3,5-triazin-2-yl]sulfanyl]phenyl]ethanone;1-cyclopropyl-2-[4-[[4-(4-methylpiperazin-1-yl)-6-[(4-methylpyrimidin-2-yl)amino]-1,3,5-triazin-2-yl]sulfanyl]phenyl]ethanone;1-cyclopropyl-2-[4-[[4-(4-methylpiperazin-1-yl)-6-(1,3,4-thiadiazol-2-ylamino)-1,3,5-triazin-2-yl]sulfanyl]phenyl]ethanone?

2-[4-[[4-[(5-bromo-2-pyridinyl)amino]-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]sulfanyl]phenyl]-1-cyclopropylethanone;1-cyclopropyl-2-[4-[[4-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]sulfanyl]phenyl]ethanone;1-cyclopropyl-2-[4-[[4-(4-methylpiperazin-1-yl)-6-[(5-methyl-2-pyridinyl)amino]-1,3,5-triazin-2-yl]sulfanyl]phenyl]ethanone;1-cyclopropyl-2-[4-[[4-(4-methylpiperazin-1-yl)-6-[(4-methylpyrimidin-2-yl)amino]-1,3,5-triazin-2-yl]sulfanyl]phenyl]ethanone;1-cyclopropyl-2-[4-[[4-(4-methylpiperazin-1-yl)-6-(1,3,4-thiadiazol-2-ylamino)-1,3,5-triazin-2-yl]sulfanyl]phenyl]ethanone has a molecular weight of 2457.01 g/mol, XLogP of 18.08, 40 rotatable bonds, 5 hydrogen bond donors, and 49 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[4-[[4-[(5-bromo-2-pyridinyl)amino]-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]sulfanyl]phenyl]-1-cyclopropylethanone;1-cyclopropyl-2-[4-[[4-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]sulfanyl]phenyl]ethanone;1-cyclopropyl-2-[4-[[4-(4-methylpiperazin-1-yl)-6-[(5-methyl-2-pyridinyl)amino]-1,3,5-triazin-2-yl]sulfanyl]phenyl]ethanone;1-cyclopropyl-2-[4-[[4-(4-methylpiperazin-1-yl)-6-[(4-methylpyrimidin-2-yl)amino]-1,3,5-triazin-2-yl]sulfanyl]phenyl]ethanone;1-cyclopropyl-2-[4-[[4-(4-methylpiperazin-1-yl)-6-(1,3,4-thiadiazol-2-ylamino)-1,3,5-triazin-2-yl]sulfanyl]phenyl]ethanone is sourced from PubChem (CID 158188523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).