2-N-cyclobutyl-6-(2-fluorophenyl)-4-N-[5-(trifluoromethyl)-3-pyridinyl]-1,3,5-triazine-2,4-diamine;6-(2-fluoro-3-methoxyphenyl)-2-N-propan-2-yl-4-N-[2-(trifluoromethyl)-4-pyridinyl]-1,3,5-triazine-2,4-diamine;6-(2-fluoro-5-methoxyphenyl)-2-N-propan-2-yl-4-N-[2-(trifluoromethyl)-4-pyridinyl]-1,3,5-triazine-2,4-diamine;2-[4-[[4-(2-fluorophenyl)-6-(propan-2-ylamino)-1,3,5-triazin-2-yl]amino]-2-pyridinyl]propan-2-ol;2-fluoro-3-[4-(propan-2-ylamino)-6-[[2-(trifluoromethyl)-4-pyridinyl]amino]-1,3,5-triazin-2-yl]phenol;4-fluoro-3-[4-(propan-2-ylamino)-6-[[2-(trifluoromethyl)-4-pyridinyl]amino]-1,3,5-triazin-2-yl]phenol

C113H107F21N36O5 — CID 161200166

About 2-N-cyclobutyl-6-(2-fluorophenyl)-4-N-[5-(trifluoromethyl)-3-pyridinyl]-1,3,5-triazine-2,4-diamine;6-(2-fluoro-3-methoxyphenyl)-2-N-propan-2-yl-4-N-[2-(trifluoromethyl)-4-pyridinyl]-1,3,5-triazine-2,4-diamine;6-(2-fluoro-5-methoxyphenyl)-2-N-propan-2-yl-4-N-[2-(trifluoromethyl)-4-pyridinyl]-1,3,5-triazine-2,4-diamine;2-[4-[[4-(2-fluorophenyl)-6-(propan-2-ylamino)-1,3,5-triazin-2-yl]amino]-2-pyridinyl]propan-2-ol;2-fluoro-3-[4-(propan-2-ylamino)-6-[[2-(trifluoromethyl)-4-pyridinyl]amino]-1,3,5-triazin-2-yl]phenol;4-fluoro-3-[4-(propan-2-ylamino)-6-[[2-(trifluoromethyl)-4-pyridinyl]amino]-1,3,5-triazin-2-yl]phenol

2-N-cyclobutyl-6-(2-fluorophenyl)-4-N-[5-(trifluoromethyl)-3-pyridinyl]-1,3,5-triazine-2,4-diamine;6-(2-fluoro-3-methoxyphenyl)-2-N-propan-2-yl-4-N-[2-(trifluoromethyl)-4-pyridinyl]-1,3,5-triazine-2,4-diamine;6-(2-fluoro-5-methoxyphenyl)-2-N-propan-2-yl-4-N-[2-(trifluoromethyl)-4-pyridinyl]-1,3,5-triazine-2,4-diamine;2-[4-[[4-(2-fluorophenyl)-6-(propan-2-ylamino)-1,3,5-triazin-2-yl]amino]-2-pyridinyl]propan-2-ol;2-fluoro-3-[4-(propan-2-ylamino)-6-[[2-(trifluoromethyl)-4-pyridinyl]amino]-1,3,5-triazin-2-yl]phenol;4-fluoro-3-[4-(propan-2-ylamino)-6-[[2-(trifluoromethyl)-4-pyridinyl]amino]-1,3,5-triazin-2-yl]phenol (PubChem CID 161200166) has the molecular formula C113H107F21N36O5 and a molecular weight of 2448.30 g/mol. Its IUPAC name is 2-N-cyclobutyl-6-(2-fluorophenyl)-4-N-[5-(trifluoromethyl)-3-pyridinyl]-1,3,5-triazine-2,4-diamine;6-(2-fluoro-3-methoxyphenyl)-2-N-propan-2-yl-4-N-[2-(trifluoromethyl)-4-pyridinyl]-1,3,5-triazine-2,4-diamine;6-(2-fluoro-5-methoxyphenyl)-2-N-propan-2-yl-4-N-[2-(trifluoromethyl)-4-pyridinyl]-1,3,5-triazine-2,4-diamine;2-[4-[[4-(2-fluorophenyl)-6-(propan-2-ylamino)-1,3,5-triazin-2-yl]amino]-2-pyridinyl]propan-2-ol;2-fluoro-3-[4-(propan-2-ylamino)-6-[[2-(trifluoromethyl)-4-pyridinyl]amino]-1,3,5-triazin-2-yl]phenol;4-fluoro-3-[4-(propan-2-ylamino)-6-[[2-(trifluoromethyl)-4-pyridinyl]amino]-1,3,5-triazin-2-yl]phenol.

Molecular Properties

• Compound Name: 2-N-cyclobutyl-6-(2-fluorophenyl)-4-N-[5-(trifluoromethyl)-3-pyridinyl]-1,3,5-triazine-2,4-diamine;6-(2-fluoro-3-methoxyphenyl)-2-N-propan-2-yl-4-N-[2-(trifluoromethyl)-4-pyridinyl]-1,3,5-triazine-2,4-diamine;6-(2-fluoro-5-methoxyphenyl)-2-N-propan-2-yl-4-N-[2-(trifluoromethyl)-4-pyridinyl]-1,3,5-triazine-2,4-diamine;2-[4-[[4-(2-fluorophenyl)-6-(propan-2-ylamino)-1,3,5-triazin-2-yl]amino]-2-pyridinyl]propan-2-ol;2-fluoro-3-[4-(propan-2-ylamino)-6-[[2-(trifluoromethyl)-4-pyridinyl]amino]-1,3,5-triazin-2-yl]phenol;4-fluoro-3-[4-(propan-2-ylamino)-6-[[2-(trifluoromethyl)-4-pyridinyl]amino]-1,3,5-triazin-2-yl]phenol
• PubChem CID: 161200166
• Molecular Formula: C113H107F21N36O5
• Molecular Weight: 2448.30 g/mol
• Exact Mass: 2446.89
• IUPAC Name: 2-N-cyclobutyl-6-(2-fluorophenyl)-4-N-[5-(trifluoromethyl)-3-pyridinyl]-1,3,5-triazine-2,4-diamine;6-(2-fluoro-3-methoxyphenyl)-2-N-propan-2-yl-4-N-[2-(trifluoromethyl)-4-pyridinyl]-1,3,5-triazine-2,4-diamine;6-(2-fluoro-5-methoxyphenyl)-2-N-propan-2-yl-4-N-[2-(trifluoromethyl)-4-pyridinyl]-1,3,5-triazine-2,4-diamine;2-[4-[[4-(2-fluorophenyl)-6-(propan-2-ylamino)-1,3,5-triazin-2-yl]amino]-2-pyridinyl]propan-2-ol;2-fluoro-3-[4-(propan-2-ylamino)-6-[[2-(trifluoromethyl)-4-pyridinyl]amino]-1,3,5-triazin-2-yl]phenol;4-fluoro-3-[4-(propan-2-ylamino)-6-[[2-(trifluoromethyl)-4-pyridinyl]amino]-1,3,5-triazin-2-yl]phenol
• SMILES: CC(C)Nc1nc(Nc2ccnc(C(C)(C)O)c2)nc(-c2ccccc2F)n1.CC(C)Nc1nc(Nc2ccnc(C(F)(F)F)c2)nc(-c2cc(O)ccc2F)n1.CC(C)Nc1nc(Nc2ccnc(C(F)(F)F)c2)nc(-c2cccc(O)c2F)n1.COc1ccc(F)c(-c2nc(Nc3ccnc(C(F)(F)F)c3)nc(NC(C)C)n2)c1.COc1cccc(-c2nc(Nc3ccnc(C(F)(F)F)c3)nc(NC(C)C)n2)c1F.Fc1ccccc1-c1nc(Nc2cncc(C(F)(F)F)c2)nc(NC2CCC2)n1
• InChI: InChI=1S/C20H23FN6O.2C19H18F4N6O.C19H16F4N6.2C18H16F4N6O/c1-12(2)23-18-25-17(14-7-5-6-8-15(14)21)26-19(27-18)24-13-9-10-22-16(11-13)20(3,4)28;1-10(2)25-17-27-16(13-9-12(30-3)4-5-14(13)20)28-18(29-17)26-11-6-7-24-15(8-11)19(21,22)23;1-10(2)25-17-27-16(12-5-4-6-13(30-3)15(12)20)28-18(29-17)26-11-7-8-24-14(9-11)19(21,22)23;20-15-7-2-1-6-14(15)16-27-17(25-12-4-3-5-12)29-18(28-16)26-13-8-11(9-24-10-13)19(21,22)23;1-9(2)24-16-26-15(12-8-11(29)3-4-13(12)19)27-17(28-16)25-10-5-6-23-14(7-10)18(20,21)22;1-9(2)24-16-26-15(11-4-3-5-12(29)14(11)19)27-17(28-16)25-10-6-7-23-13(8-10)18(20,21)22/h5-12,28H,1-4H3,(H2,22,23,24,25,26,27);2*4-10H,1-3H3,(H2,24,25,26,27,28,29);1-2,6-10,12H,3-5H2,(H2,25,26,27,28,29);2*3-9,29H,1-2H3,(H2,23,24,25,26,27,28)
• InChIKey: UUWFMPRXEKNGRF-UHFFFAOYSA-N
• XLogP: 26.71
• TPSA: 532.87 Ų
• H-Bond Donors: 15
• H-Bond Acceptors: 41
• Rotatable Bonds: 33
• Heavy Atoms: 175
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2448.30
LogP ≤ 5	26.71
H-Bond Donors ≤ 5	15
H-Bond Acceptors ≤ 10	41

Frequently Asked Questions

What is the IUPAC name of 2-N-cyclobutyl-6-(2-fluorophenyl)-4-N-[5-(trifluoromethyl)-3-pyridinyl]-1,3,5-triazine-2,4-diamine;6-(2-fluoro-3-methoxyphenyl)-2-N-propan-2-yl-4-N-[2-(trifluoromethyl)-4-pyridinyl]-1,3,5-triazine-2,4-diamine;6-(2-fluoro-5-methoxyphenyl)-2-N-propan-2-yl-4-N-[2-(trifluoromethyl)-4-pyridinyl]-1,3,5-triazine-2,4-diamine;2-[4-[[4-(2-fluorophenyl)-6-(propan-2-ylamino)-1,3,5-triazin-2-yl]amino]-2-pyridinyl]propan-2-ol;2-fluoro-3-[4-(propan-2-ylamino)-6-[[2-(trifluoromethyl)-4-pyridinyl]amino]-1,3,5-triazin-2-yl]phenol;4-fluoro-3-[4-(propan-2-ylamino)-6-[[2-(trifluoromethyl)-4-pyridinyl]amino]-1,3,5-triazin-2-yl]phenol?

The IUPAC name of 2-N-cyclobutyl-6-(2-fluorophenyl)-4-N-[5-(trifluoromethyl)-3-pyridinyl]-1,3,5-triazine-2,4-diamine;6-(2-fluoro-3-methoxyphenyl)-2-N-propan-2-yl-4-N-[2-(trifluoromethyl)-4-pyridinyl]-1,3,5-triazine-2,4-diamine;6-(2-fluoro-5-methoxyphenyl)-2-N-propan-2-yl-4-N-[2-(trifluoromethyl)-4-pyridinyl]-1,3,5-triazine-2,4-diamine;2-[4-[[4-(2-fluorophenyl)-6-(propan-2-ylamino)-1,3,5-triazin-2-yl]amino]-2-pyridinyl]propan-2-ol;2-fluoro-3-[4-(propan-2-ylamino)-6-[[2-(trifluoromethyl)-4-pyridinyl]amino]-1,3,5-triazin-2-yl]phenol;4-fluoro-3-[4-(propan-2-ylamino)-6-[[2-(trifluoromethyl)-4-pyridinyl]amino]-1,3,5-triazin-2-yl]phenol (CID 161200166) is 2-N-cyclobutyl-6-(2-fluorophenyl)-4-N-[5-(trifluoromethyl)-3-pyridinyl]-1,3,5-triazine-2,4-diamine;6-(2-fluoro-3-methoxyphenyl)-2-N-propan-2-yl-4-N-[2-(trifluoromethyl)-4-pyridinyl]-1,3,5-triazine-2,4-diamine;6-(2-fluoro-5-methoxyphenyl)-2-N-propan-2-yl-4-N-[2-(trifluoromethyl)-4-pyridinyl]-1,3,5-triazine-2,4-diamine;2-[4-[[4-(2-fluorophenyl)-6-(propan-2-ylamino)-1,3,5-triazin-2-yl]amino]-2-pyridinyl]propan-2-ol;2-fluoro-3-[4-(propan-2-ylamino)-6-[[2-(trifluoromethyl)-4-pyridinyl]amino]-1,3,5-triazin-2-yl]phenol;4-fluoro-3-[4-(propan-2-ylamino)-6-[[2-(trifluoromethyl)-4-pyridinyl]amino]-1,3,5-triazin-2-yl]phenol.

What is the SMILES notation for 2-N-cyclobutyl-6-(2-fluorophenyl)-4-N-[5-(trifluoromethyl)-3-pyridinyl]-1,3,5-triazine-2,4-diamine;6-(2-fluoro-3-methoxyphenyl)-2-N-propan-2-yl-4-N-[2-(trifluoromethyl)-4-pyridinyl]-1,3,5-triazine-2,4-diamine;6-(2-fluoro-5-methoxyphenyl)-2-N-propan-2-yl-4-N-[2-(trifluoromethyl)-4-pyridinyl]-1,3,5-triazine-2,4-diamine;2-[4-[[4-(2-fluorophenyl)-6-(propan-2-ylamino)-1,3,5-triazin-2-yl]amino]-2-pyridinyl]propan-2-ol;2-fluoro-3-[4-(propan-2-ylamino)-6-[[2-(trifluoromethyl)-4-pyridinyl]amino]-1,3,5-triazin-2-yl]phenol;4-fluoro-3-[4-(propan-2-ylamino)-6-[[2-(trifluoromethyl)-4-pyridinyl]amino]-1,3,5-triazin-2-yl]phenol?

The canonical SMILES for 2-N-cyclobutyl-6-(2-fluorophenyl)-4-N-[5-(trifluoromethyl)-3-pyridinyl]-1,3,5-triazine-2,4-diamine;6-(2-fluoro-3-methoxyphenyl)-2-N-propan-2-yl-4-N-[2-(trifluoromethyl)-4-pyridinyl]-1,3,5-triazine-2,4-diamine;6-(2-fluoro-5-methoxyphenyl)-2-N-propan-2-yl-4-N-[2-(trifluoromethyl)-4-pyridinyl]-1,3,5-triazine-2,4-diamine;2-[4-[[4-(2-fluorophenyl)-6-(propan-2-ylamino)-1,3,5-triazin-2-yl]amino]-2-pyridinyl]propan-2-ol;2-fluoro-3-[4-(propan-2-ylamino)-6-[[2-(trifluoromethyl)-4-pyridinyl]amino]-1,3,5-triazin-2-yl]phenol;4-fluoro-3-[4-(propan-2-ylamino)-6-[[2-(trifluoromethyl)-4-pyridinyl]amino]-1,3,5-triazin-2-yl]phenol is CC(C)Nc1nc(Nc2ccnc(C(C)(C)O)c2)nc(-c2ccccc2F)n1.CC(C)Nc1nc(Nc2ccnc(C(F)(F)F)c2)nc(-c2cc(O)ccc2F)n1.CC(C)Nc1nc(Nc2ccnc(C(F)(F)F)c2)nc(-c2cccc(O)c2F)n1.COc1ccc(F)c(-c2nc(Nc3ccnc(C(F)(F)F)c3)nc(NC(C)C)n2)c1.COc1cccc(-c2nc(Nc3ccnc(C(F)(F)F)c3)nc(NC(C)C)n2)c1F.Fc1ccccc1-c1nc(Nc2cncc(C(F)(F)F)c2)nc(NC2CCC2)n1.

What is the InChIKey of 2-N-cyclobutyl-6-(2-fluorophenyl)-4-N-[5-(trifluoromethyl)-3-pyridinyl]-1,3,5-triazine-2,4-diamine;6-(2-fluoro-3-methoxyphenyl)-2-N-propan-2-yl-4-N-[2-(trifluoromethyl)-4-pyridinyl]-1,3,5-triazine-2,4-diamine;6-(2-fluoro-5-methoxyphenyl)-2-N-propan-2-yl-4-N-[2-(trifluoromethyl)-4-pyridinyl]-1,3,5-triazine-2,4-diamine;2-[4-[[4-(2-fluorophenyl)-6-(propan-2-ylamino)-1,3,5-triazin-2-yl]amino]-2-pyridinyl]propan-2-ol;2-fluoro-3-[4-(propan-2-ylamino)-6-[[2-(trifluoromethyl)-4-pyridinyl]amino]-1,3,5-triazin-2-yl]phenol;4-fluoro-3-[4-(propan-2-ylamino)-6-[[2-(trifluoromethyl)-4-pyridinyl]amino]-1,3,5-triazin-2-yl]phenol?

The InChIKey is UUWFMPRXEKNGRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23FN6O.2C19H18F4N6O.C19H16F4N6.2C18H16F4N6O/c1-12(2)23-18-25-17(14-7-5-6-8-15(14)21)26-19(27-18)24-13-9-10-22-16(11-13)20(3,4)28;1-10(2)25-17-27-16(13-9-12(30-3)4-5-14(13)20)28-18(29-17)26-11-6-7-24-15(8-11)19(21,22)23;1-10(2)25-17-27-16(12-5-4-6-13(30-3)15(12)20)28-18(29-17)26-11-7-8-24-14(9-11)19(21,22)23;20-15-7-2-1-6-14(15)16-27-17(25-12-4-3-5-12)29-18(28-16)26-13-8-11(9-24-10-13)19(21,22)23;1-9(2)24-16-26-15(12-8-11(29)3-4-13(12)19)27-17(28-16)25-10-5-6-23-14(7-10)18(20,21)22;1-9(2)24-16-26-15(11-4-3-5-12(29)14(11)19)27-17(28-16)25-10-6-7-23-13(8-10)18(20,21)22/h5-12,28H,1-4H3,(H2,22,23,24,25,26,27);2*4-10H,1-3H3,(H2,24,25,26,27,28,29);1-2,6-10,12H,3-5H2,(H2,25,26,27,28,29);2*3-9,29H,1-2H3,(H2,23,24,25,26,27,28).

What are the key properties of 2-N-cyclobutyl-6-(2-fluorophenyl)-4-N-[5-(trifluoromethyl)-3-pyridinyl]-1,3,5-triazine-2,4-diamine;6-(2-fluoro-3-methoxyphenyl)-2-N-propan-2-yl-4-N-[2-(trifluoromethyl)-4-pyridinyl]-1,3,5-triazine-2,4-diamine;6-(2-fluoro-5-methoxyphenyl)-2-N-propan-2-yl-4-N-[2-(trifluoromethyl)-4-pyridinyl]-1,3,5-triazine-2,4-diamine;2-[4-[[4-(2-fluorophenyl)-6-(propan-2-ylamino)-1,3,5-triazin-2-yl]amino]-2-pyridinyl]propan-2-ol;2-fluoro-3-[4-(propan-2-ylamino)-6-[[2-(trifluoromethyl)-4-pyridinyl]amino]-1,3,5-triazin-2-yl]phenol;4-fluoro-3-[4-(propan-2-ylamino)-6-[[2-(trifluoromethyl)-4-pyridinyl]amino]-1,3,5-triazin-2-yl]phenol?

2-N-cyclobutyl-6-(2-fluorophenyl)-4-N-[5-(trifluoromethyl)-3-pyridinyl]-1,3,5-triazine-2,4-diamine;6-(2-fluoro-3-methoxyphenyl)-2-N-propan-2-yl-4-N-[2-(trifluoromethyl)-4-pyridinyl]-1,3,5-triazine-2,4-diamine;6-(2-fluoro-5-methoxyphenyl)-2-N-propan-2-yl-4-N-[2-(trifluoromethyl)-4-pyridinyl]-1,3,5-triazine-2,4-diamine;2-[4-[[4-(2-fluorophenyl)-6-(propan-2-ylamino)-1,3,5-triazin-2-yl]amino]-2-pyridinyl]propan-2-ol;2-fluoro-3-[4-(propan-2-ylamino)-6-[[2-(trifluoromethyl)-4-pyridinyl]amino]-1,3,5-triazin-2-yl]phenol;4-fluoro-3-[4-(propan-2-ylamino)-6-[[2-(trifluoromethyl)-4-pyridinyl]amino]-1,3,5-triazin-2-yl]phenol has a molecular weight of 2448.30 g/mol, XLogP of 26.71, 33 rotatable bonds, 15 hydrogen bond donors, and 41 hydrogen bond acceptors.

Where does this data come from?

All data for 2-N-cyclobutyl-6-(2-fluorophenyl)-4-N-[5-(trifluoromethyl)-3-pyridinyl]-1,3,5-triazine-2,4-diamine;6-(2-fluoro-3-methoxyphenyl)-2-N-propan-2-yl-4-N-[2-(trifluoromethyl)-4-pyridinyl]-1,3,5-triazine-2,4-diamine;6-(2-fluoro-5-methoxyphenyl)-2-N-propan-2-yl-4-N-[2-(trifluoromethyl)-4-pyridinyl]-1,3,5-triazine-2,4-diamine;2-[4-[[4-(2-fluorophenyl)-6-(propan-2-ylamino)-1,3,5-triazin-2-yl]amino]-2-pyridinyl]propan-2-ol;2-fluoro-3-[4-(propan-2-ylamino)-6-[[2-(trifluoromethyl)-4-pyridinyl]amino]-1,3,5-triazin-2-yl]phenol;4-fluoro-3-[4-(propan-2-ylamino)-6-[[2-(trifluoromethyl)-4-pyridinyl]amino]-1,3,5-triazin-2-yl]phenol is sourced from PubChem (CID 161200166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).