6-(6-amino-3-fluoro-2-pyridinyl)-2-N-tert-butyl-4-N-[2-(trifluoromethyl)-4-pyridinyl]-1,3,5-triazine-2,4-diamine;6-(6-amino-2-pyridinyl)-2-N-(3,5-difluorophenyl)-4-N-(2,2-difluoropropyl)-1,3,5-triazine-2,4-diamine;6-(6-amino-2-pyridinyl)-4-N-(3-fluorophenyl)-2-N-propan-2-yl-1,3,5-triazine-2,4-diamine;2-N-tert-butyl-6-(3,6-difluoro-2-pyridinyl)-4-N-[2-(trifluoromethyl)-4-pyridinyl]-1,3,5-triazine-2,4-diamine;[2-chloro-6-[4-(3,5-difluoroanilino)-6-(propan-2-ylamino)-1,3,5-triazin-2-yl]-4-pyridinyl]methanol;4-N-[2-(1,1-difluoroethyl)-4-pyridinyl]-2-N-propan-2-yl-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3,5-triazine-2,4-diamine

C107H102ClF21N42O — CID 159453943

About 6-(6-amino-3-fluoro-2-pyridinyl)-2-N-tert-butyl-4-N-[2-(trifluoromethyl)-4-pyridinyl]-1,3,5-triazine-2,4-diamine;6-(6-amino-2-pyridinyl)-2-N-(3,5-difluorophenyl)-4-N-(2,2-difluoropropyl)-1,3,5-triazine-2,4-diamine;6-(6-amino-2-pyridinyl)-4-N-(3-fluorophenyl)-2-N-propan-2-yl-1,3,5-triazine-2,4-diamine;2-N-tert-butyl-6-(3,6-difluoro-2-pyridinyl)-4-N-[2-(trifluoromethyl)-4-pyridinyl]-1,3,5-triazine-2,4-diamine;[2-chloro-6-[4-(3,5-difluoroanilino)-6-(propan-2-ylamino)-1,3,5-triazin-2-yl]-4-pyridinyl]methanol;4-N-[2-(1,1-difluoroethyl)-4-pyridinyl]-2-N-propan-2-yl-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3,5-triazine-2,4-diamine

6-(6-amino-3-fluoro-2-pyridinyl)-2-N-tert-butyl-4-N-[2-(trifluoromethyl)-4-pyridinyl]-1,3,5-triazine-2,4-diamine;6-(6-amino-2-pyridinyl)-2-N-(3,5-difluorophenyl)-4-N-(2,2-difluoropropyl)-1,3,5-triazine-2,4-diamine;6-(6-amino-2-pyridinyl)-4-N-(3-fluorophenyl)-2-N-propan-2-yl-1,3,5-triazine-2,4-diamine;2-N-tert-butyl-6-(3,6-difluoro-2-pyridinyl)-4-N-[2-(trifluoromethyl)-4-pyridinyl]-1,3,5-triazine-2,4-diamine;[2-chloro-6-[4-(3,5-difluoroanilino)-6-(propan-2-ylamino)-1,3,5-triazin-2-yl]-4-pyridinyl]methanol;4-N-[2-(1,1-difluoroethyl)-4-pyridinyl]-2-N-propan-2-yl-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3,5-triazine-2,4-diamine (PubChem CID 159453943) has the molecular formula C107H102ClF21N42O and a molecular weight of 2426.70 g/mol. Its IUPAC name is 6-(6-amino-3-fluoro-2-pyridinyl)-2-N-tert-butyl-4-N-[2-(trifluoromethyl)-4-pyridinyl]-1,3,5-triazine-2,4-diamine;6-(6-amino-2-pyridinyl)-2-N-(3,5-difluorophenyl)-4-N-(2,2-difluoropropyl)-1,3,5-triazine-2,4-diamine;6-(6-amino-2-pyridinyl)-4-N-(3-fluorophenyl)-2-N-propan-2-yl-1,3,5-triazine-2,4-diamine;2-N-tert-butyl-6-(3,6-difluoro-2-pyridinyl)-4-N-[2-(trifluoromethyl)-4-pyridinyl]-1,3,5-triazine-2,4-diamine;[2-chloro-6-[4-(3,5-difluoroanilino)-6-(propan-2-ylamino)-1,3,5-triazin-2-yl]-4-pyridinyl]methanol;4-N-[2-(1,1-difluoroethyl)-4-pyridinyl]-2-N-propan-2-yl-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3,5-triazine-2,4-diamine.

Molecular Properties

• Compound Name: 6-(6-amino-3-fluoro-2-pyridinyl)-2-N-tert-butyl-4-N-[2-(trifluoromethyl)-4-pyridinyl]-1,3,5-triazine-2,4-diamine;6-(6-amino-2-pyridinyl)-2-N-(3,5-difluorophenyl)-4-N-(2,2-difluoropropyl)-1,3,5-triazine-2,4-diamine;6-(6-amino-2-pyridinyl)-4-N-(3-fluorophenyl)-2-N-propan-2-yl-1,3,5-triazine-2,4-diamine;2-N-tert-butyl-6-(3,6-difluoro-2-pyridinyl)-4-N-[2-(trifluoromethyl)-4-pyridinyl]-1,3,5-triazine-2,4-diamine;[2-chloro-6-[4-(3,5-difluoroanilino)-6-(propan-2-ylamino)-1,3,5-triazin-2-yl]-4-pyridinyl]methanol;4-N-[2-(1,1-difluoroethyl)-4-pyridinyl]-2-N-propan-2-yl-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3,5-triazine-2,4-diamine
• PubChem CID: 159453943
• Molecular Formula: C107H102ClF21N42O
• Molecular Weight: 2426.70 g/mol
• Exact Mass: 2424.86
• IUPAC Name: 6-(6-amino-3-fluoro-2-pyridinyl)-2-N-tert-butyl-4-N-[2-(trifluoromethyl)-4-pyridinyl]-1,3,5-triazine-2,4-diamine;6-(6-amino-2-pyridinyl)-2-N-(3,5-difluorophenyl)-4-N-(2,2-difluoropropyl)-1,3,5-triazine-2,4-diamine;6-(6-amino-2-pyridinyl)-4-N-(3-fluorophenyl)-2-N-propan-2-yl-1,3,5-triazine-2,4-diamine;2-N-tert-butyl-6-(3,6-difluoro-2-pyridinyl)-4-N-[2-(trifluoromethyl)-4-pyridinyl]-1,3,5-triazine-2,4-diamine;[2-chloro-6-[4-(3,5-difluoroanilino)-6-(propan-2-ylamino)-1,3,5-triazin-2-yl]-4-pyridinyl]methanol;4-N-[2-(1,1-difluoroethyl)-4-pyridinyl]-2-N-propan-2-yl-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3,5-triazine-2,4-diamine
• SMILES: CC(C)(C)Nc1nc(Nc2ccnc(C(F)(F)F)c2)nc(-c2nc(F)ccc2F)n1.CC(C)(C)Nc1nc(Nc2ccnc(C(F)(F)F)c2)nc(-c2nc(N)ccc2F)n1.CC(C)Nc1nc(Nc2cc(F)cc(F)c2)nc(-c2cc(CO)cc(Cl)n2)n1.CC(C)Nc1nc(Nc2cccc(F)c2)nc(-c2cccc(N)n2)n1.CC(C)Nc1nc(Nc2ccnc(C(C)(F)F)c2)nc(-c2cccc(C(F)(F)F)n2)n1.CC(F)(F)CNc1nc(Nc2cc(F)cc(F)c2)nc(-c2cccc(N)n2)n1
• InChI: InChI=1S/C19H18F5N7.C18H17ClF2N6O.C18H16F5N7.C18H18F4N8.C17H15F4N7.C17H18FN7/c1-10(2)26-16-29-15(12-5-4-6-13(28-12)19(22,23)24)30-17(31-16)27-11-7-8-25-14(9-11)18(3,20)21;1-9(2)22-17-25-16(14-3-10(8-28)4-15(19)24-14)26-18(27-17)23-13-6-11(20)5-12(21)7-13;1-17(2,3)30-16-28-14(13-10(19)4-5-12(20)26-13)27-15(29-16)25-9-6-7-24-11(8-9)18(21,22)23;1-17(2,3)30-16-28-14(13-10(19)4-5-12(23)26-13)27-15(29-16)25-9-6-7-24-11(8-9)18(20,21)22;1-17(20,21)8-23-15-26-14(12-3-2-4-13(22)25-12)27-16(28-15)24-11-6-9(18)5-10(19)7-11;1-10(2)20-16-23-15(13-7-4-8-14(19)22-13)24-17(25-16)21-12-6-3-5-11(18)9-12/h4-10H,1-3H3,(H2,25,26,27,29,30,31);3-7,9,28H,8H2,1-2H3,(H2,22,23,25,26,27);4-8H,1-3H3,(H2,24,25,27,28,29,30);4-8H,1-3H3,(H2,23,26)(H2,24,25,27,28,29,30);2-7H,8H2,1H3,(H2,22,25)(H2,23,24,26,27,28);3-10H,1-2H3,(H2,19,22)(H2,20,21,23,24,25)
• InChIKey: LTSOCRRZKGHMQU-UHFFFAOYSA-N
• XLogP: 24.37
• TPSA: 590.68 Ų
• H-Bond Donors: 16
• H-Bond Acceptors: 43
• Rotatable Bonds: 31
• Heavy Atoms: 172
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2426.70
LogP ≤ 5	24.37
H-Bond Donors ≤ 5	16
H-Bond Acceptors ≤ 10	43

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 6-(6-amino-3-fluoro-2-pyridinyl)-2-N-tert-butyl-4-N-[2-(trifluoromethyl)-4-pyridinyl]-1,3,5-triazine-2,4-diamine;6-(6-amino-2-pyridinyl)-2-N-(3,5-difluorophenyl)-4-N-(2,2-difluoropropyl)-1,3,5-triazine-2,4-diamine;6-(6-amino-2-pyridinyl)-4-N-(3-fluorophenyl)-2-N-propan-2-yl-1,3,5-triazine-2,4-diamine;2-N-tert-butyl-6-(3,6-difluoro-2-pyridinyl)-4-N-[2-(trifluoromethyl)-4-pyridinyl]-1,3,5-triazine-2,4-diamine;[2-chloro-6-[4-(3,5-difluoroanilino)-6-(propan-2-ylamino)-1,3,5-triazin-2-yl]-4-pyridinyl]methanol;4-N-[2-(1,1-difluoroethyl)-4-pyridinyl]-2-N-propan-2-yl-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3,5-triazine-2,4-diamine?

The IUPAC name of 6-(6-amino-3-fluoro-2-pyridinyl)-2-N-tert-butyl-4-N-[2-(trifluoromethyl)-4-pyridinyl]-1,3,5-triazine-2,4-diamine;6-(6-amino-2-pyridinyl)-2-N-(3,5-difluorophenyl)-4-N-(2,2-difluoropropyl)-1,3,5-triazine-2,4-diamine;6-(6-amino-2-pyridinyl)-4-N-(3-fluorophenyl)-2-N-propan-2-yl-1,3,5-triazine-2,4-diamine;2-N-tert-butyl-6-(3,6-difluoro-2-pyridinyl)-4-N-[2-(trifluoromethyl)-4-pyridinyl]-1,3,5-triazine-2,4-diamine;[2-chloro-6-[4-(3,5-difluoroanilino)-6-(propan-2-ylamino)-1,3,5-triazin-2-yl]-4-pyridinyl]methanol;4-N-[2-(1,1-difluoroethyl)-4-pyridinyl]-2-N-propan-2-yl-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3,5-triazine-2,4-diamine (CID 159453943) is 6-(6-amino-3-fluoro-2-pyridinyl)-2-N-tert-butyl-4-N-[2-(trifluoromethyl)-4-pyridinyl]-1,3,5-triazine-2,4-diamine;6-(6-amino-2-pyridinyl)-2-N-(3,5-difluorophenyl)-4-N-(2,2-difluoropropyl)-1,3,5-triazine-2,4-diamine;6-(6-amino-2-pyridinyl)-4-N-(3-fluorophenyl)-2-N-propan-2-yl-1,3,5-triazine-2,4-diamine;2-N-tert-butyl-6-(3,6-difluoro-2-pyridinyl)-4-N-[2-(trifluoromethyl)-4-pyridinyl]-1,3,5-triazine-2,4-diamine;[2-chloro-6-[4-(3,5-difluoroanilino)-6-(propan-2-ylamino)-1,3,5-triazin-2-yl]-4-pyridinyl]methanol;4-N-[2-(1,1-difluoroethyl)-4-pyridinyl]-2-N-propan-2-yl-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3,5-triazine-2,4-diamine.

What is the SMILES notation for 6-(6-amino-3-fluoro-2-pyridinyl)-2-N-tert-butyl-4-N-[2-(trifluoromethyl)-4-pyridinyl]-1,3,5-triazine-2,4-diamine;6-(6-amino-2-pyridinyl)-2-N-(3,5-difluorophenyl)-4-N-(2,2-difluoropropyl)-1,3,5-triazine-2,4-diamine;6-(6-amino-2-pyridinyl)-4-N-(3-fluorophenyl)-2-N-propan-2-yl-1,3,5-triazine-2,4-diamine;2-N-tert-butyl-6-(3,6-difluoro-2-pyridinyl)-4-N-[2-(trifluoromethyl)-4-pyridinyl]-1,3,5-triazine-2,4-diamine;[2-chloro-6-[4-(3,5-difluoroanilino)-6-(propan-2-ylamino)-1,3,5-triazin-2-yl]-4-pyridinyl]methanol;4-N-[2-(1,1-difluoroethyl)-4-pyridinyl]-2-N-propan-2-yl-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3,5-triazine-2,4-diamine?

The canonical SMILES for 6-(6-amino-3-fluoro-2-pyridinyl)-2-N-tert-butyl-4-N-[2-(trifluoromethyl)-4-pyridinyl]-1,3,5-triazine-2,4-diamine;6-(6-amino-2-pyridinyl)-2-N-(3,5-difluorophenyl)-4-N-(2,2-difluoropropyl)-1,3,5-triazine-2,4-diamine;6-(6-amino-2-pyridinyl)-4-N-(3-fluorophenyl)-2-N-propan-2-yl-1,3,5-triazine-2,4-diamine;2-N-tert-butyl-6-(3,6-difluoro-2-pyridinyl)-4-N-[2-(trifluoromethyl)-4-pyridinyl]-1,3,5-triazine-2,4-diamine;[2-chloro-6-[4-(3,5-difluoroanilino)-6-(propan-2-ylamino)-1,3,5-triazin-2-yl]-4-pyridinyl]methanol;4-N-[2-(1,1-difluoroethyl)-4-pyridinyl]-2-N-propan-2-yl-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3,5-triazine-2,4-diamine is CC(C)(C)Nc1nc(Nc2ccnc(C(F)(F)F)c2)nc(-c2nc(F)ccc2F)n1.CC(C)(C)Nc1nc(Nc2ccnc(C(F)(F)F)c2)nc(-c2nc(N)ccc2F)n1.CC(C)Nc1nc(Nc2cc(F)cc(F)c2)nc(-c2cc(CO)cc(Cl)n2)n1.CC(C)Nc1nc(Nc2cccc(F)c2)nc(-c2cccc(N)n2)n1.CC(C)Nc1nc(Nc2ccnc(C(C)(F)F)c2)nc(-c2cccc(C(F)(F)F)n2)n1.CC(F)(F)CNc1nc(Nc2cc(F)cc(F)c2)nc(-c2cccc(N)n2)n1.

What is the InChIKey of 6-(6-amino-3-fluoro-2-pyridinyl)-2-N-tert-butyl-4-N-[2-(trifluoromethyl)-4-pyridinyl]-1,3,5-triazine-2,4-diamine;6-(6-amino-2-pyridinyl)-2-N-(3,5-difluorophenyl)-4-N-(2,2-difluoropropyl)-1,3,5-triazine-2,4-diamine;6-(6-amino-2-pyridinyl)-4-N-(3-fluorophenyl)-2-N-propan-2-yl-1,3,5-triazine-2,4-diamine;2-N-tert-butyl-6-(3,6-difluoro-2-pyridinyl)-4-N-[2-(trifluoromethyl)-4-pyridinyl]-1,3,5-triazine-2,4-diamine;[2-chloro-6-[4-(3,5-difluoroanilino)-6-(propan-2-ylamino)-1,3,5-triazin-2-yl]-4-pyridinyl]methanol;4-N-[2-(1,1-difluoroethyl)-4-pyridinyl]-2-N-propan-2-yl-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3,5-triazine-2,4-diamine?

The InChIKey is LTSOCRRZKGHMQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18F5N7.C18H17ClF2N6O.C18H16F5N7.C18H18F4N8.C17H15F4N7.C17H18FN7/c1-10(2)26-16-29-15(12-5-4-6-13(28-12)19(22,23)24)30-17(31-16)27-11-7-8-25-14(9-11)18(3,20)21;1-9(2)22-17-25-16(14-3-10(8-28)4-15(19)24-14)26-18(27-17)23-13-6-11(20)5-12(21)7-13;1-17(2,3)30-16-28-14(13-10(19)4-5-12(20)26-13)27-15(29-16)25-9-6-7-24-11(8-9)18(21,22)23;1-17(2,3)30-16-28-14(13-10(19)4-5-12(23)26-13)27-15(29-16)25-9-6-7-24-11(8-9)18(20,21)22;1-17(20,21)8-23-15-26-14(12-3-2-4-13(22)25-12)27-16(28-15)24-11-6-9(18)5-10(19)7-11;1-10(2)20-16-23-15(13-7-4-8-14(19)22-13)24-17(25-16)21-12-6-3-5-11(18)9-12/h4-10H,1-3H3,(H2,25,26,27,29,30,31);3-7,9,28H,8H2,1-2H3,(H2,22,23,25,26,27);4-8H,1-3H3,(H2,24,25,27,28,29,30);4-8H,1-3H3,(H2,23,26)(H2,24,25,27,28,29,30);2-7H,8H2,1H3,(H2,22,25)(H2,23,24,26,27,28);3-10H,1-2H3,(H2,19,22)(H2,20,21,23,24,25).

What are the key properties of 6-(6-amino-3-fluoro-2-pyridinyl)-2-N-tert-butyl-4-N-[2-(trifluoromethyl)-4-pyridinyl]-1,3,5-triazine-2,4-diamine;6-(6-amino-2-pyridinyl)-2-N-(3,5-difluorophenyl)-4-N-(2,2-difluoropropyl)-1,3,5-triazine-2,4-diamine;6-(6-amino-2-pyridinyl)-4-N-(3-fluorophenyl)-2-N-propan-2-yl-1,3,5-triazine-2,4-diamine;2-N-tert-butyl-6-(3,6-difluoro-2-pyridinyl)-4-N-[2-(trifluoromethyl)-4-pyridinyl]-1,3,5-triazine-2,4-diamine;[2-chloro-6-[4-(3,5-difluoroanilino)-6-(propan-2-ylamino)-1,3,5-triazin-2-yl]-4-pyridinyl]methanol;4-N-[2-(1,1-difluoroethyl)-4-pyridinyl]-2-N-propan-2-yl-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3,5-triazine-2,4-diamine?

6-(6-amino-3-fluoro-2-pyridinyl)-2-N-tert-butyl-4-N-[2-(trifluoromethyl)-4-pyridinyl]-1,3,5-triazine-2,4-diamine;6-(6-amino-2-pyridinyl)-2-N-(3,5-difluorophenyl)-4-N-(2,2-difluoropropyl)-1,3,5-triazine-2,4-diamine;6-(6-amino-2-pyridinyl)-4-N-(3-fluorophenyl)-2-N-propan-2-yl-1,3,5-triazine-2,4-diamine;2-N-tert-butyl-6-(3,6-difluoro-2-pyridinyl)-4-N-[2-(trifluoromethyl)-4-pyridinyl]-1,3,5-triazine-2,4-diamine;[2-chloro-6-[4-(3,5-difluoroanilino)-6-(propan-2-ylamino)-1,3,5-triazin-2-yl]-4-pyridinyl]methanol;4-N-[2-(1,1-difluoroethyl)-4-pyridinyl]-2-N-propan-2-yl-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3,5-triazine-2,4-diamine has a molecular weight of 2426.70 g/mol, XLogP of 24.37, 31 rotatable bonds, 16 hydrogen bond donors, and 43 hydrogen bond acceptors.

Where does this data come from?

All data for 6-(6-amino-3-fluoro-2-pyridinyl)-2-N-tert-butyl-4-N-[2-(trifluoromethyl)-4-pyridinyl]-1,3,5-triazine-2,4-diamine;6-(6-amino-2-pyridinyl)-2-N-(3,5-difluorophenyl)-4-N-(2,2-difluoropropyl)-1,3,5-triazine-2,4-diamine;6-(6-amino-2-pyridinyl)-4-N-(3-fluorophenyl)-2-N-propan-2-yl-1,3,5-triazine-2,4-diamine;2-N-tert-butyl-6-(3,6-difluoro-2-pyridinyl)-4-N-[2-(trifluoromethyl)-4-pyridinyl]-1,3,5-triazine-2,4-diamine;[2-chloro-6-[4-(3,5-difluoroanilino)-6-(propan-2-ylamino)-1,3,5-triazin-2-yl]-4-pyridinyl]methanol;4-N-[2-(1,1-difluoroethyl)-4-pyridinyl]-2-N-propan-2-yl-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 159453943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).