6-(6-bromo-2-methylimidazo[4,5-b]pyridin-1-yl)-2-N-[4-(trifluoromethyl)phenyl]-1,3,5-triazine-2,4-diamine;2-N-[4-(difluoromethoxy)-3-fluorophenyl]-6-(6-fluoro-2-methylbenzimidazol-1-yl)-1,3,5-triazine-2,4-diamine;2-N-[4-(difluoromethoxy)phenyl]-6-(2-ethylbenzimidazol-1-yl)-1,3,5-triazine-2,4-diamine;6-(2-ethylbenzimidazol-1-yl)-2-N-[4-(trifluoromethyl)phenyl]-1,3,5-triazine-2,4-diamine

C73H58BrF12N29O2 — CID 159583810

About 6-(6-bromo-2-methylimidazo[4,5-b]pyridin-1-yl)-2-N-[4-(trifluoromethyl)phenyl]-1,3,5-triazine-2,4-diamine;2-N-[4-(difluoromethoxy)-3-fluorophenyl]-6-(6-fluoro-2-methylbenzimidazol-1-yl)-1,3,5-triazine-2,4-diamine;2-N-[4-(difluoromethoxy)phenyl]-6-(2-ethylbenzimidazol-1-yl)-1,3,5-triazine-2,4-diamine;6-(2-ethylbenzimidazol-1-yl)-2-N-[4-(trifluoromethyl)phenyl]-1,3,5-triazine-2,4-diamine

6-(6-bromo-2-methylimidazo[4,5-b]pyridin-1-yl)-2-N-[4-(trifluoromethyl)phenyl]-1,3,5-triazine-2,4-diamine;2-N-[4-(difluoromethoxy)-3-fluorophenyl]-6-(6-fluoro-2-methylbenzimidazol-1-yl)-1,3,5-triazine-2,4-diamine;2-N-[4-(difluoromethoxy)phenyl]-6-(2-ethylbenzimidazol-1-yl)-1,3,5-triazine-2,4-diamine;6-(2-ethylbenzimidazol-1-yl)-2-N-[4-(trifluoromethyl)phenyl]-1,3,5-triazine-2,4-diamine (PubChem CID 159583810) has the molecular formula C73H58BrF12N29O2 and a molecular weight of 1681.35 g/mol. Its IUPAC name is 6-(6-bromo-2-methylimidazo[4,5-b]pyridin-1-yl)-2-N-[4-(trifluoromethyl)phenyl]-1,3,5-triazine-2,4-diamine;2-N-[4-(difluoromethoxy)-3-fluorophenyl]-6-(6-fluoro-2-methylbenzimidazol-1-yl)-1,3,5-triazine-2,4-diamine;2-N-[4-(difluoromethoxy)phenyl]-6-(2-ethylbenzimidazol-1-yl)-1,3,5-triazine-2,4-diamine;6-(2-ethylbenzimidazol-1-yl)-2-N-[4-(trifluoromethyl)phenyl]-1,3,5-triazine-2,4-diamine.

Molecular Properties

• Compound Name: 6-(6-bromo-2-methylimidazo[4,5-b]pyridin-1-yl)-2-N-[4-(trifluoromethyl)phenyl]-1,3,5-triazine-2,4-diamine;2-N-[4-(difluoromethoxy)-3-fluorophenyl]-6-(6-fluoro-2-methylbenzimidazol-1-yl)-1,3,5-triazine-2,4-diamine;2-N-[4-(difluoromethoxy)phenyl]-6-(2-ethylbenzimidazol-1-yl)-1,3,5-triazine-2,4-diamine;6-(2-ethylbenzimidazol-1-yl)-2-N-[4-(trifluoromethyl)phenyl]-1,3,5-triazine-2,4-diamine
• PubChem CID: 159583810
• Molecular Formula: C73H58BrF12N29O2
• Molecular Weight: 1681.35 g/mol
• Exact Mass: 1679.43
• IUPAC Name: 6-(6-bromo-2-methylimidazo[4,5-b]pyridin-1-yl)-2-N-[4-(trifluoromethyl)phenyl]-1,3,5-triazine-2,4-diamine;2-N-[4-(difluoromethoxy)-3-fluorophenyl]-6-(6-fluoro-2-methylbenzimidazol-1-yl)-1,3,5-triazine-2,4-diamine;2-N-[4-(difluoromethoxy)phenyl]-6-(2-ethylbenzimidazol-1-yl)-1,3,5-triazine-2,4-diamine;6-(2-ethylbenzimidazol-1-yl)-2-N-[4-(trifluoromethyl)phenyl]-1,3,5-triazine-2,4-diamine
• SMILES: CCc1nc2ccccc2n1-c1nc(N)nc(Nc2ccc(C(F)(F)F)cc2)n1.CCc1nc2ccccc2n1-c1nc(N)nc(Nc2ccc(OC(F)F)cc2)n1.Cc1nc2ccc(F)cc2n1-c1nc(N)nc(Nc2ccc(OC(F)F)c(F)c2)n1.Cc1nc2ncc(Br)cc2n1-c1nc(N)nc(Nc2ccc(C(F)(F)F)cc2)n1
• InChI: InChI=1S/C19H16F3N7.C19H17F2N7O.C18H13F4N7O.C17H12BrF3N8/c1-2-15-25-13-5-3-4-6-14(13)29(15)18-27-16(23)26-17(28-18)24-12-9-7-11(8-10-12)19(20,21)22;1-2-15-24-13-5-3-4-6-14(13)28(15)19-26-17(22)25-18(27-19)23-11-7-9-12(10-8-11)29-16(20)21;1-8-24-12-4-2-9(19)6-13(12)29(8)18-27-16(23)26-17(28-18)25-10-3-5-14(11(20)7-10)30-15(21)22;1-8-24-13-12(6-10(18)7-23-13)29(8)16-27-14(22)26-15(28-16)25-11-4-2-9(3-5-11)17(19,20)21/h3-10H,2H2,1H3,(H3,23,24,26,27,28);3-10,16H,2H2,1H3,(H3,22,23,25,26,27);2-7,15H,1H3,(H3,23,25,26,27,28);2-7H,1H3,(H3,22,25,26,27,28)
• InChIKey: MJIXSGRBHVVUCI-UHFFFAOYSA-N
• XLogP: 15.56
• TPSA: 409.51 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 31
• Rotatable Bonds: 18
• Heavy Atoms: 117
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1681.35
LogP ≤ 5	15.56
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	31

Frequently Asked Questions

What is the IUPAC name of 6-(6-bromo-2-methylimidazo[4,5-b]pyridin-1-yl)-2-N-[4-(trifluoromethyl)phenyl]-1,3,5-triazine-2,4-diamine;2-N-[4-(difluoromethoxy)-3-fluorophenyl]-6-(6-fluoro-2-methylbenzimidazol-1-yl)-1,3,5-triazine-2,4-diamine;2-N-[4-(difluoromethoxy)phenyl]-6-(2-ethylbenzimidazol-1-yl)-1,3,5-triazine-2,4-diamine;6-(2-ethylbenzimidazol-1-yl)-2-N-[4-(trifluoromethyl)phenyl]-1,3,5-triazine-2,4-diamine?

The IUPAC name of 6-(6-bromo-2-methylimidazo[4,5-b]pyridin-1-yl)-2-N-[4-(trifluoromethyl)phenyl]-1,3,5-triazine-2,4-diamine;2-N-[4-(difluoromethoxy)-3-fluorophenyl]-6-(6-fluoro-2-methylbenzimidazol-1-yl)-1,3,5-triazine-2,4-diamine;2-N-[4-(difluoromethoxy)phenyl]-6-(2-ethylbenzimidazol-1-yl)-1,3,5-triazine-2,4-diamine;6-(2-ethylbenzimidazol-1-yl)-2-N-[4-(trifluoromethyl)phenyl]-1,3,5-triazine-2,4-diamine (CID 159583810) is 6-(6-bromo-2-methylimidazo[4,5-b]pyridin-1-yl)-2-N-[4-(trifluoromethyl)phenyl]-1,3,5-triazine-2,4-diamine;2-N-[4-(difluoromethoxy)-3-fluorophenyl]-6-(6-fluoro-2-methylbenzimidazol-1-yl)-1,3,5-triazine-2,4-diamine;2-N-[4-(difluoromethoxy)phenyl]-6-(2-ethylbenzimidazol-1-yl)-1,3,5-triazine-2,4-diamine;6-(2-ethylbenzimidazol-1-yl)-2-N-[4-(trifluoromethyl)phenyl]-1,3,5-triazine-2,4-diamine.

What is the SMILES notation for 6-(6-bromo-2-methylimidazo[4,5-b]pyridin-1-yl)-2-N-[4-(trifluoromethyl)phenyl]-1,3,5-triazine-2,4-diamine;2-N-[4-(difluoromethoxy)-3-fluorophenyl]-6-(6-fluoro-2-methylbenzimidazol-1-yl)-1,3,5-triazine-2,4-diamine;2-N-[4-(difluoromethoxy)phenyl]-6-(2-ethylbenzimidazol-1-yl)-1,3,5-triazine-2,4-diamine;6-(2-ethylbenzimidazol-1-yl)-2-N-[4-(trifluoromethyl)phenyl]-1,3,5-triazine-2,4-diamine?

The canonical SMILES for 6-(6-bromo-2-methylimidazo[4,5-b]pyridin-1-yl)-2-N-[4-(trifluoromethyl)phenyl]-1,3,5-triazine-2,4-diamine;2-N-[4-(difluoromethoxy)-3-fluorophenyl]-6-(6-fluoro-2-methylbenzimidazol-1-yl)-1,3,5-triazine-2,4-diamine;2-N-[4-(difluoromethoxy)phenyl]-6-(2-ethylbenzimidazol-1-yl)-1,3,5-triazine-2,4-diamine;6-(2-ethylbenzimidazol-1-yl)-2-N-[4-(trifluoromethyl)phenyl]-1,3,5-triazine-2,4-diamine is CCc1nc2ccccc2n1-c1nc(N)nc(Nc2ccc(C(F)(F)F)cc2)n1.CCc1nc2ccccc2n1-c1nc(N)nc(Nc2ccc(OC(F)F)cc2)n1.Cc1nc2ccc(F)cc2n1-c1nc(N)nc(Nc2ccc(OC(F)F)c(F)c2)n1.Cc1nc2ncc(Br)cc2n1-c1nc(N)nc(Nc2ccc(C(F)(F)F)cc2)n1.

What is the InChIKey of 6-(6-bromo-2-methylimidazo[4,5-b]pyridin-1-yl)-2-N-[4-(trifluoromethyl)phenyl]-1,3,5-triazine-2,4-diamine;2-N-[4-(difluoromethoxy)-3-fluorophenyl]-6-(6-fluoro-2-methylbenzimidazol-1-yl)-1,3,5-triazine-2,4-diamine;2-N-[4-(difluoromethoxy)phenyl]-6-(2-ethylbenzimidazol-1-yl)-1,3,5-triazine-2,4-diamine;6-(2-ethylbenzimidazol-1-yl)-2-N-[4-(trifluoromethyl)phenyl]-1,3,5-triazine-2,4-diamine?

The InChIKey is MJIXSGRBHVVUCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16F3N7.C19H17F2N7O.C18H13F4N7O.C17H12BrF3N8/c1-2-15-25-13-5-3-4-6-14(13)29(15)18-27-16(23)26-17(28-18)24-12-9-7-11(8-10-12)19(20,21)22;1-2-15-24-13-5-3-4-6-14(13)28(15)19-26-17(22)25-18(27-19)23-11-7-9-12(10-8-11)29-16(20)21;1-8-24-12-4-2-9(19)6-13(12)29(8)18-27-16(23)26-17(28-18)25-10-3-5-14(11(20)7-10)30-15(21)22;1-8-24-13-12(6-10(18)7-23-13)29(8)16-27-14(22)26-15(28-16)25-11-4-2-9(3-5-11)17(19,20)21/h3-10H,2H2,1H3,(H3,23,24,26,27,28);3-10,16H,2H2,1H3,(H3,22,23,25,26,27);2-7,15H,1H3,(H3,23,25,26,27,28);2-7H,1H3,(H3,22,25,26,27,28).

What are the key properties of 6-(6-bromo-2-methylimidazo[4,5-b]pyridin-1-yl)-2-N-[4-(trifluoromethyl)phenyl]-1,3,5-triazine-2,4-diamine;2-N-[4-(difluoromethoxy)-3-fluorophenyl]-6-(6-fluoro-2-methylbenzimidazol-1-yl)-1,3,5-triazine-2,4-diamine;2-N-[4-(difluoromethoxy)phenyl]-6-(2-ethylbenzimidazol-1-yl)-1,3,5-triazine-2,4-diamine;6-(2-ethylbenzimidazol-1-yl)-2-N-[4-(trifluoromethyl)phenyl]-1,3,5-triazine-2,4-diamine?

6-(6-bromo-2-methylimidazo[4,5-b]pyridin-1-yl)-2-N-[4-(trifluoromethyl)phenyl]-1,3,5-triazine-2,4-diamine;2-N-[4-(difluoromethoxy)-3-fluorophenyl]-6-(6-fluoro-2-methylbenzimidazol-1-yl)-1,3,5-triazine-2,4-diamine;2-N-[4-(difluoromethoxy)phenyl]-6-(2-ethylbenzimidazol-1-yl)-1,3,5-triazine-2,4-diamine;6-(2-ethylbenzimidazol-1-yl)-2-N-[4-(trifluoromethyl)phenyl]-1,3,5-triazine-2,4-diamine has a molecular weight of 1681.35 g/mol, XLogP of 15.56, 18 rotatable bonds, 8 hydrogen bond donors, and 31 hydrogen bond acceptors.

Where does this data come from?

All data for 6-(6-bromo-2-methylimidazo[4,5-b]pyridin-1-yl)-2-N-[4-(trifluoromethyl)phenyl]-1,3,5-triazine-2,4-diamine;2-N-[4-(difluoromethoxy)-3-fluorophenyl]-6-(6-fluoro-2-methylbenzimidazol-1-yl)-1,3,5-triazine-2,4-diamine;2-N-[4-(difluoromethoxy)phenyl]-6-(2-ethylbenzimidazol-1-yl)-1,3,5-triazine-2,4-diamine;6-(2-ethylbenzimidazol-1-yl)-2-N-[4-(trifluoromethyl)phenyl]-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 159583810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).