2-N-[4-(difluoromethoxy)phenyl]-6-(2-methylimidazo[4,5-b]pyridin-1-yl)-1,3,5-triazine-2,4-diamine;6-(6-fluoro-2-methylimidazo[4,5-b]pyridin-1-yl)-2-N-[4-(trifluoromethyl)phenyl]-1,3,5-triazine-2,4-diamine;2-N-isoquinolin-3-yl-6-(2-methylbenzimidazol-1-yl)-1,3,5-triazine-2,4-diamine;2-[[4-(2-methylbenzimidazol-1-yl)-6-(quinolin-3-ylamino)-1,3,5-triazin-2-yl]amino]ethanol

C76H62F6N32O2 — CID 160869591

About 2-N-[4-(difluoromethoxy)phenyl]-6-(2-methylimidazo[4,5-b]pyridin-1-yl)-1,3,5-triazine-2,4-diamine;6-(6-fluoro-2-methylimidazo[4,5-b]pyridin-1-yl)-2-N-[4-(trifluoromethyl)phenyl]-1,3,5-triazine-2,4-diamine;2-N-isoquinolin-3-yl-6-(2-methylbenzimidazol-1-yl)-1,3,5-triazine-2,4-diamine;2-[[4-(2-methylbenzimidazol-1-yl)-6-(quinolin-3-ylamino)-1,3,5-triazin-2-yl]amino]ethanol

2-N-[4-(difluoromethoxy)phenyl]-6-(2-methylimidazo[4,5-b]pyridin-1-yl)-1,3,5-triazine-2,4-diamine;6-(6-fluoro-2-methylimidazo[4,5-b]pyridin-1-yl)-2-N-[4-(trifluoromethyl)phenyl]-1,3,5-triazine-2,4-diamine;2-N-isoquinolin-3-yl-6-(2-methylbenzimidazol-1-yl)-1,3,5-triazine-2,4-diamine;2-[[4-(2-methylbenzimidazol-1-yl)-6-(quinolin-3-ylamino)-1,3,5-triazin-2-yl]amino]ethanol (PubChem CID 160869591) has the molecular formula C76H62F6N32O2 and a molecular weight of 1569.54 g/mol. Its IUPAC name is 2-N-[4-(difluoromethoxy)phenyl]-6-(2-methylimidazo[4,5-b]pyridin-1-yl)-1,3,5-triazine-2,4-diamine;6-(6-fluoro-2-methylimidazo[4,5-b]pyridin-1-yl)-2-N-[4-(trifluoromethyl)phenyl]-1,3,5-triazine-2,4-diamine;2-N-isoquinolin-3-yl-6-(2-methylbenzimidazol-1-yl)-1,3,5-triazine-2,4-diamine;2-[[4-(2-methylbenzimidazol-1-yl)-6-(quinolin-3-ylamino)-1,3,5-triazin-2-yl]amino]ethanol.

Molecular Properties

• Compound Name: 2-N-[4-(difluoromethoxy)phenyl]-6-(2-methylimidazo[4,5-b]pyridin-1-yl)-1,3,5-triazine-2,4-diamine;6-(6-fluoro-2-methylimidazo[4,5-b]pyridin-1-yl)-2-N-[4-(trifluoromethyl)phenyl]-1,3,5-triazine-2,4-diamine;2-N-isoquinolin-3-yl-6-(2-methylbenzimidazol-1-yl)-1,3,5-triazine-2,4-diamine;2-[[4-(2-methylbenzimidazol-1-yl)-6-(quinolin-3-ylamino)-1,3,5-triazin-2-yl]amino]ethanol
• PubChem CID: 160869591
• Molecular Formula: C76H62F6N32O2
• Molecular Weight: 1569.54 g/mol
• Exact Mass: 1568.56
• IUPAC Name: 2-N-[4-(difluoromethoxy)phenyl]-6-(2-methylimidazo[4,5-b]pyridin-1-yl)-1,3,5-triazine-2,4-diamine;6-(6-fluoro-2-methylimidazo[4,5-b]pyridin-1-yl)-2-N-[4-(trifluoromethyl)phenyl]-1,3,5-triazine-2,4-diamine;2-N-isoquinolin-3-yl-6-(2-methylbenzimidazol-1-yl)-1,3,5-triazine-2,4-diamine;2-[[4-(2-methylbenzimidazol-1-yl)-6-(quinolin-3-ylamino)-1,3,5-triazin-2-yl]amino]ethanol
• SMILES: Cc1nc2ccccc2n1-c1nc(N)nc(Nc2cc3ccccc3cn2)n1.Cc1nc2ccccc2n1-c1nc(NCCO)nc(Nc2cnc3ccccc3c2)n1.Cc1nc2ncc(F)cc2n1-c1nc(N)nc(Nc2ccc(C(F)(F)F)cc2)n1.Cc1nc2ncccc2n1-c1nc(N)nc(Nc2ccc(OC(F)F)cc2)n1
• InChI: InChI=1S/C22H20N8O.C20H16N8.C17H12F4N8.C17H14F2N8O/c1-14-25-18-8-4-5-9-19(18)30(14)22-28-20(23-10-11-31)27-21(29-22)26-16-12-15-6-2-3-7-17(15)24-13-16;1-12-23-15-8-4-5-9-16(15)28(12)20-26-18(21)25-19(27-20)24-17-10-13-6-2-3-7-14(13)11-22-17;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;1-9-22-13-12(3-2-8-21-13)27(9)17-25-15(20)24-16(26-17)23-10-4-6-11(7-5-10)28-14(18)19/h2-9,12-13,31H,10-11H2,1H3,(H2,23,26,27,28,29);2-11H,1H3,(H3,21,22,24,25,26,27);2-7H,1H3,(H3,22,25,26,27,28);2-8,14H,1H3,(H3,20,23,24,25,26)
• InChIKey: SLOSWFXRBVFTOK-UHFFFAOYSA-N
• XLogP: 12.85
• TPSA: 445.19 Ų
• H-Bond Donors: 9
• H-Bond Acceptors: 34
• Rotatable Bonds: 17
• Heavy Atoms: 116
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1569.54
LogP ≤ 5	12.85
H-Bond Donors ≤ 5	9
H-Bond Acceptors ≤ 10	34

Frequently Asked Questions

What is the IUPAC name of 2-N-[4-(difluoromethoxy)phenyl]-6-(2-methylimidazo[4,5-b]pyridin-1-yl)-1,3,5-triazine-2,4-diamine;6-(6-fluoro-2-methylimidazo[4,5-b]pyridin-1-yl)-2-N-[4-(trifluoromethyl)phenyl]-1,3,5-triazine-2,4-diamine;2-N-isoquinolin-3-yl-6-(2-methylbenzimidazol-1-yl)-1,3,5-triazine-2,4-diamine;2-[[4-(2-methylbenzimidazol-1-yl)-6-(quinolin-3-ylamino)-1,3,5-triazin-2-yl]amino]ethanol?

The IUPAC name of 2-N-[4-(difluoromethoxy)phenyl]-6-(2-methylimidazo[4,5-b]pyridin-1-yl)-1,3,5-triazine-2,4-diamine;6-(6-fluoro-2-methylimidazo[4,5-b]pyridin-1-yl)-2-N-[4-(trifluoromethyl)phenyl]-1,3,5-triazine-2,4-diamine;2-N-isoquinolin-3-yl-6-(2-methylbenzimidazol-1-yl)-1,3,5-triazine-2,4-diamine;2-[[4-(2-methylbenzimidazol-1-yl)-6-(quinolin-3-ylamino)-1,3,5-triazin-2-yl]amino]ethanol (CID 160869591) is 2-N-[4-(difluoromethoxy)phenyl]-6-(2-methylimidazo[4,5-b]pyridin-1-yl)-1,3,5-triazine-2,4-diamine;6-(6-fluoro-2-methylimidazo[4,5-b]pyridin-1-yl)-2-N-[4-(trifluoromethyl)phenyl]-1,3,5-triazine-2,4-diamine;2-N-isoquinolin-3-yl-6-(2-methylbenzimidazol-1-yl)-1,3,5-triazine-2,4-diamine;2-[[4-(2-methylbenzimidazol-1-yl)-6-(quinolin-3-ylamino)-1,3,5-triazin-2-yl]amino]ethanol.

What is the SMILES notation for 2-N-[4-(difluoromethoxy)phenyl]-6-(2-methylimidazo[4,5-b]pyridin-1-yl)-1,3,5-triazine-2,4-diamine;6-(6-fluoro-2-methylimidazo[4,5-b]pyridin-1-yl)-2-N-[4-(trifluoromethyl)phenyl]-1,3,5-triazine-2,4-diamine;2-N-isoquinolin-3-yl-6-(2-methylbenzimidazol-1-yl)-1,3,5-triazine-2,4-diamine;2-[[4-(2-methylbenzimidazol-1-yl)-6-(quinolin-3-ylamino)-1,3,5-triazin-2-yl]amino]ethanol?

The canonical SMILES for 2-N-[4-(difluoromethoxy)phenyl]-6-(2-methylimidazo[4,5-b]pyridin-1-yl)-1,3,5-triazine-2,4-diamine;6-(6-fluoro-2-methylimidazo[4,5-b]pyridin-1-yl)-2-N-[4-(trifluoromethyl)phenyl]-1,3,5-triazine-2,4-diamine;2-N-isoquinolin-3-yl-6-(2-methylbenzimidazol-1-yl)-1,3,5-triazine-2,4-diamine;2-[[4-(2-methylbenzimidazol-1-yl)-6-(quinolin-3-ylamino)-1,3,5-triazin-2-yl]amino]ethanol is Cc1nc2ccccc2n1-c1nc(N)nc(Nc2cc3ccccc3cn2)n1.Cc1nc2ccccc2n1-c1nc(NCCO)nc(Nc2cnc3ccccc3c2)n1.Cc1nc2ncc(F)cc2n1-c1nc(N)nc(Nc2ccc(C(F)(F)F)cc2)n1.Cc1nc2ncccc2n1-c1nc(N)nc(Nc2ccc(OC(F)F)cc2)n1.

What is the InChIKey of 2-N-[4-(difluoromethoxy)phenyl]-6-(2-methylimidazo[4,5-b]pyridin-1-yl)-1,3,5-triazine-2,4-diamine;6-(6-fluoro-2-methylimidazo[4,5-b]pyridin-1-yl)-2-N-[4-(trifluoromethyl)phenyl]-1,3,5-triazine-2,4-diamine;2-N-isoquinolin-3-yl-6-(2-methylbenzimidazol-1-yl)-1,3,5-triazine-2,4-diamine;2-[[4-(2-methylbenzimidazol-1-yl)-6-(quinolin-3-ylamino)-1,3,5-triazin-2-yl]amino]ethanol?

The InChIKey is SLOSWFXRBVFTOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N8O.C20H16N8.C17H12F4N8.C17H14F2N8O/c1-14-25-18-8-4-5-9-19(18)30(14)22-28-20(23-10-11-31)27-21(29-22)26-16-12-15-6-2-3-7-17(15)24-13-16;1-12-23-15-8-4-5-9-16(15)28(12)20-26-18(21)25-19(27-20)24-17-10-13-6-2-3-7-14(13)11-22-17;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;1-9-22-13-12(3-2-8-21-13)27(9)17-25-15(20)24-16(26-17)23-10-4-6-11(7-5-10)28-14(18)19/h2-9,12-13,31H,10-11H2,1H3,(H2,23,26,27,28,29);2-11H,1H3,(H3,21,22,24,25,26,27);2-7H,1H3,(H3,22,25,26,27,28);2-8,14H,1H3,(H3,20,23,24,25,26).

What are the key properties of 2-N-[4-(difluoromethoxy)phenyl]-6-(2-methylimidazo[4,5-b]pyridin-1-yl)-1,3,5-triazine-2,4-diamine;6-(6-fluoro-2-methylimidazo[4,5-b]pyridin-1-yl)-2-N-[4-(trifluoromethyl)phenyl]-1,3,5-triazine-2,4-diamine;2-N-isoquinolin-3-yl-6-(2-methylbenzimidazol-1-yl)-1,3,5-triazine-2,4-diamine;2-[[4-(2-methylbenzimidazol-1-yl)-6-(quinolin-3-ylamino)-1,3,5-triazin-2-yl]amino]ethanol?

2-N-[4-(difluoromethoxy)phenyl]-6-(2-methylimidazo[4,5-b]pyridin-1-yl)-1,3,5-triazine-2,4-diamine;6-(6-fluoro-2-methylimidazo[4,5-b]pyridin-1-yl)-2-N-[4-(trifluoromethyl)phenyl]-1,3,5-triazine-2,4-diamine;2-N-isoquinolin-3-yl-6-(2-methylbenzimidazol-1-yl)-1,3,5-triazine-2,4-diamine;2-[[4-(2-methylbenzimidazol-1-yl)-6-(quinolin-3-ylamino)-1,3,5-triazin-2-yl]amino]ethanol has a molecular weight of 1569.54 g/mol, XLogP of 12.85, 17 rotatable bonds, 9 hydrogen bond donors, and 34 hydrogen bond acceptors.

Where does this data come from?

All data for 2-N-[4-(difluoromethoxy)phenyl]-6-(2-methylimidazo[4,5-b]pyridin-1-yl)-1,3,5-triazine-2,4-diamine;6-(6-fluoro-2-methylimidazo[4,5-b]pyridin-1-yl)-2-N-[4-(trifluoromethyl)phenyl]-1,3,5-triazine-2,4-diamine;2-N-isoquinolin-3-yl-6-(2-methylbenzimidazol-1-yl)-1,3,5-triazine-2,4-diamine;2-[[4-(2-methylbenzimidazol-1-yl)-6-(quinolin-3-ylamino)-1,3,5-triazin-2-yl]amino]ethanol is sourced from PubChem (CID 160869591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).