2-N-(5-chloro-6-fluoro-3-pyridinyl)-4-N-(2,2-dimethylpropyl)-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3,5-triazine-2,4-diamine;3-(hydroxymethyl)-5-[4-(propan-2-ylamino)-6-[[2-(trifluoromethyl)-4-pyridinyl]amino]-1,3,5-triazin-2-yl]phenol;4-N-[2-(1-isocyanocyclopropyl)-4-pyridinyl]-2-N-propan-2-yl-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3,5-triazine-2,4-diamine;4-N-[2-(2-isocyanopropan-2-yl)-4-pyridinyl]-2-N-propan-2-yl-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3,5-triazine-2,4-diamine;2-N-(1-methylpiperidin-4-yl)-4-N,6-diphenyl-1,3,5-triazine-2,4-diamine

C101H101ClF13N35O2 — CID 158084477

About 2-N-(5-chloro-6-fluoro-3-pyridinyl)-4-N-(2,2-dimethylpropyl)-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3,5-triazine-2,4-diamine;3-(hydroxymethyl)-5-[4-(propan-2-ylamino)-6-[[2-(trifluoromethyl)-4-pyridinyl]amino]-1,3,5-triazin-2-yl]phenol;4-N-[2-(1-isocyanocyclopropyl)-4-pyridinyl]-2-N-propan-2-yl-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3,5-triazine-2,4-diamine;4-N-[2-(2-isocyanopropan-2-yl)-4-pyridinyl]-2-N-propan-2-yl-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3,5-triazine-2,4-diamine;2-N-(1-methylpiperidin-4-yl)-4-N,6-diphenyl-1,3,5-triazine-2,4-diamine

2-N-(5-chloro-6-fluoro-3-pyridinyl)-4-N-(2,2-dimethylpropyl)-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3,5-triazine-2,4-diamine;3-(hydroxymethyl)-5-[4-(propan-2-ylamino)-6-[[2-(trifluoromethyl)-4-pyridinyl]amino]-1,3,5-triazin-2-yl]phenol;4-N-[2-(1-isocyanocyclopropyl)-4-pyridinyl]-2-N-propan-2-yl-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3,5-triazine-2,4-diamine;4-N-[2-(2-isocyanopropan-2-yl)-4-pyridinyl]-2-N-propan-2-yl-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3,5-triazine-2,4-diamine;2-N-(1-methylpiperidin-4-yl)-4-N,6-diphenyl-1,3,5-triazine-2,4-diamine (PubChem CID 158084477) has the molecular formula C101H101ClF13N35O2 and a molecular weight of 2119.59 g/mol. Its IUPAC name is 2-N-(5-chloro-6-fluoro-3-pyridinyl)-4-N-(2,2-dimethylpropyl)-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3,5-triazine-2,4-diamine;3-(hydroxymethyl)-5-[4-(propan-2-ylamino)-6-[[2-(trifluoromethyl)-4-pyridinyl]amino]-1,3,5-triazin-2-yl]phenol;4-N-[2-(1-isocyanocyclopropyl)-4-pyridinyl]-2-N-propan-2-yl-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3,5-triazine-2,4-diamine;4-N-[2-(2-isocyanopropan-2-yl)-4-pyridinyl]-2-N-propan-2-yl-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3,5-triazine-2,4-diamine;2-N-(1-methylpiperidin-4-yl)-4-N,6-diphenyl-1,3,5-triazine-2,4-diamine.

Molecular Properties

• Compound Name: 2-N-(5-chloro-6-fluoro-3-pyridinyl)-4-N-(2,2-dimethylpropyl)-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3,5-triazine-2,4-diamine;3-(hydroxymethyl)-5-[4-(propan-2-ylamino)-6-[[2-(trifluoromethyl)-4-pyridinyl]amino]-1,3,5-triazin-2-yl]phenol;4-N-[2-(1-isocyanocyclopropyl)-4-pyridinyl]-2-N-propan-2-yl-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3,5-triazine-2,4-diamine;4-N-[2-(2-isocyanopropan-2-yl)-4-pyridinyl]-2-N-propan-2-yl-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3,5-triazine-2,4-diamine;2-N-(1-methylpiperidin-4-yl)-4-N,6-diphenyl-1,3,5-triazine-2,4-diamine
• PubChem CID: 158084477
• Molecular Formula: C101H101ClF13N35O2
• Molecular Weight: 2119.59 g/mol
• Exact Mass: 2117.84
• IUPAC Name: 2-N-(5-chloro-6-fluoro-3-pyridinyl)-4-N-(2,2-dimethylpropyl)-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3,5-triazine-2,4-diamine;3-(hydroxymethyl)-5-[4-(propan-2-ylamino)-6-[[2-(trifluoromethyl)-4-pyridinyl]amino]-1,3,5-triazin-2-yl]phenol;4-N-[2-(1-isocyanocyclopropyl)-4-pyridinyl]-2-N-propan-2-yl-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3,5-triazine-2,4-diamine;4-N-[2-(2-isocyanopropan-2-yl)-4-pyridinyl]-2-N-propan-2-yl-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3,5-triazine-2,4-diamine;2-N-(1-methylpiperidin-4-yl)-4-N,6-diphenyl-1,3,5-triazine-2,4-diamine
• SMILES: CC(C)(C)CNc1nc(Nc2cnc(F)c(Cl)c2)nc(-c2cccc(C(F)(F)F)n2)n1.CC(C)Nc1nc(Nc2ccnc(C(F)(F)F)c2)nc(-c2cc(O)cc(CO)c2)n1.CN1CCC(Nc2nc(Nc3ccccc3)nc(-c3ccccc3)n2)CC1.[C-]#[N+]C(C)(C)c1cc(Nc2nc(NC(C)C)nc(-c3cccc(C(F)(F)F)n3)n2)ccn1.[C-]#[N+]C1(c2cc(Nc3nc(NC(C)C)nc(-c4cccc(C(F)(F)F)n4)n3)ccn2)CC1
• InChI: InChI=1S/C21H19F3N8.C21H21F3N8.C21H24N6.C19H18ClF4N7.C19H19F3N6O2/c1-12(2)27-18-30-17(14-5-4-6-15(29-14)21(22,23)24)31-19(32-18)28-13-7-10-26-16(11-13)20(25-3)8-9-20;1-12(2)27-18-30-17(14-7-6-8-15(29-14)21(22,23)24)31-19(32-18)28-13-9-10-26-16(11-13)20(3,4)25-5;1-27-14-12-18(13-15-27)23-21-25-19(16-8-4-2-5-9-16)24-20(26-21)22-17-10-6-3-7-11-17;1-18(2,3)9-26-16-29-15(12-5-4-6-13(28-12)19(22,23)24)30-17(31-16)27-10-7-11(20)14(21)25-8-10;1-10(2)24-17-26-16(12-5-11(9-29)6-14(30)7-12)27-18(28-17)25-13-3-4-23-15(8-13)19(20,21)22/h4-7,10-12H,8-9H2,1-2H3,(H2,26,27,28,30,31,32);6-12H,1-4H3,(H2,26,27,28,30,31,32);2-11,18H,12-15H2,1H3,(H2,22,23,24,25,26);4-8H,9H2,1-3H3,(H2,26,27,29,30,31);3-8,10,29-30H,9H2,1-2H3,(H2,23,24,25,26,27,28)
• InChIKey: FNIOEZPJICIECT-UHFFFAOYSA-N
• XLogP: 22.73
• TPSA: 456.30 Ų
• H-Bond Donors: 12
• H-Bond Acceptors: 35
• Rotatable Bonds: 28
• Heavy Atoms: 152
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2119.59
LogP ≤ 5	22.73
H-Bond Donors ≤ 5	12
H-Bond Acceptors ≤ 10	35

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-N-(5-chloro-6-fluoro-3-pyridinyl)-4-N-(2,2-dimethylpropyl)-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3,5-triazine-2,4-diamine;3-(hydroxymethyl)-5-[4-(propan-2-ylamino)-6-[[2-(trifluoromethyl)-4-pyridinyl]amino]-1,3,5-triazin-2-yl]phenol;4-N-[2-(1-isocyanocyclopropyl)-4-pyridinyl]-2-N-propan-2-yl-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3,5-triazine-2,4-diamine;4-N-[2-(2-isocyanopropan-2-yl)-4-pyridinyl]-2-N-propan-2-yl-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3,5-triazine-2,4-diamine;2-N-(1-methylpiperidin-4-yl)-4-N,6-diphenyl-1,3,5-triazine-2,4-diamine?

The IUPAC name of 2-N-(5-chloro-6-fluoro-3-pyridinyl)-4-N-(2,2-dimethylpropyl)-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3,5-triazine-2,4-diamine;3-(hydroxymethyl)-5-[4-(propan-2-ylamino)-6-[[2-(trifluoromethyl)-4-pyridinyl]amino]-1,3,5-triazin-2-yl]phenol;4-N-[2-(1-isocyanocyclopropyl)-4-pyridinyl]-2-N-propan-2-yl-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3,5-triazine-2,4-diamine;4-N-[2-(2-isocyanopropan-2-yl)-4-pyridinyl]-2-N-propan-2-yl-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3,5-triazine-2,4-diamine;2-N-(1-methylpiperidin-4-yl)-4-N,6-diphenyl-1,3,5-triazine-2,4-diamine (CID 158084477) is 2-N-(5-chloro-6-fluoro-3-pyridinyl)-4-N-(2,2-dimethylpropyl)-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3,5-triazine-2,4-diamine;3-(hydroxymethyl)-5-[4-(propan-2-ylamino)-6-[[2-(trifluoromethyl)-4-pyridinyl]amino]-1,3,5-triazin-2-yl]phenol;4-N-[2-(1-isocyanocyclopropyl)-4-pyridinyl]-2-N-propan-2-yl-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3,5-triazine-2,4-diamine;4-N-[2-(2-isocyanopropan-2-yl)-4-pyridinyl]-2-N-propan-2-yl-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3,5-triazine-2,4-diamine;2-N-(1-methylpiperidin-4-yl)-4-N,6-diphenyl-1,3,5-triazine-2,4-diamine.

What is the SMILES notation for 2-N-(5-chloro-6-fluoro-3-pyridinyl)-4-N-(2,2-dimethylpropyl)-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3,5-triazine-2,4-diamine;3-(hydroxymethyl)-5-[4-(propan-2-ylamino)-6-[[2-(trifluoromethyl)-4-pyridinyl]amino]-1,3,5-triazin-2-yl]phenol;4-N-[2-(1-isocyanocyclopropyl)-4-pyridinyl]-2-N-propan-2-yl-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3,5-triazine-2,4-diamine;4-N-[2-(2-isocyanopropan-2-yl)-4-pyridinyl]-2-N-propan-2-yl-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3,5-triazine-2,4-diamine;2-N-(1-methylpiperidin-4-yl)-4-N,6-diphenyl-1,3,5-triazine-2,4-diamine?

The canonical SMILES for 2-N-(5-chloro-6-fluoro-3-pyridinyl)-4-N-(2,2-dimethylpropyl)-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3,5-triazine-2,4-diamine;3-(hydroxymethyl)-5-[4-(propan-2-ylamino)-6-[[2-(trifluoromethyl)-4-pyridinyl]amino]-1,3,5-triazin-2-yl]phenol;4-N-[2-(1-isocyanocyclopropyl)-4-pyridinyl]-2-N-propan-2-yl-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3,5-triazine-2,4-diamine;4-N-[2-(2-isocyanopropan-2-yl)-4-pyridinyl]-2-N-propan-2-yl-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3,5-triazine-2,4-diamine;2-N-(1-methylpiperidin-4-yl)-4-N,6-diphenyl-1,3,5-triazine-2,4-diamine is CC(C)(C)CNc1nc(Nc2cnc(F)c(Cl)c2)nc(-c2cccc(C(F)(F)F)n2)n1.CC(C)Nc1nc(Nc2ccnc(C(F)(F)F)c2)nc(-c2cc(O)cc(CO)c2)n1.CN1CCC(Nc2nc(Nc3ccccc3)nc(-c3ccccc3)n2)CC1.[C-]#[N+]C(C)(C)c1cc(Nc2nc(NC(C)C)nc(-c3cccc(C(F)(F)F)n3)n2)ccn1.[C-]#[N+]C1(c2cc(Nc3nc(NC(C)C)nc(-c4cccc(C(F)(F)F)n4)n3)ccn2)CC1.

What is the InChIKey of 2-N-(5-chloro-6-fluoro-3-pyridinyl)-4-N-(2,2-dimethylpropyl)-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3,5-triazine-2,4-diamine;3-(hydroxymethyl)-5-[4-(propan-2-ylamino)-6-[[2-(trifluoromethyl)-4-pyridinyl]amino]-1,3,5-triazin-2-yl]phenol;4-N-[2-(1-isocyanocyclopropyl)-4-pyridinyl]-2-N-propan-2-yl-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3,5-triazine-2,4-diamine;4-N-[2-(2-isocyanopropan-2-yl)-4-pyridinyl]-2-N-propan-2-yl-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3,5-triazine-2,4-diamine;2-N-(1-methylpiperidin-4-yl)-4-N,6-diphenyl-1,3,5-triazine-2,4-diamine?

The InChIKey is FNIOEZPJICIECT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19F3N8.C21H21F3N8.C21H24N6.C19H18ClF4N7.C19H19F3N6O2/c1-12(2)27-18-30-17(14-5-4-6-15(29-14)21(22,23)24)31-19(32-18)28-13-7-10-26-16(11-13)20(25-3)8-9-20;1-12(2)27-18-30-17(14-7-6-8-15(29-14)21(22,23)24)31-19(32-18)28-13-9-10-26-16(11-13)20(3,4)25-5;1-27-14-12-18(13-15-27)23-21-25-19(16-8-4-2-5-9-16)24-20(26-21)22-17-10-6-3-7-11-17;1-18(2,3)9-26-16-29-15(12-5-4-6-13(28-12)19(22,23)24)30-17(31-16)27-10-7-11(20)14(21)25-8-10;1-10(2)24-17-26-16(12-5-11(9-29)6-14(30)7-12)27-18(28-17)25-13-3-4-23-15(8-13)19(20,21)22/h4-7,10-12H,8-9H2,1-2H3,(H2,26,27,28,30,31,32);6-12H,1-4H3,(H2,26,27,28,30,31,32);2-11,18H,12-15H2,1H3,(H2,22,23,24,25,26);4-8H,9H2,1-3H3,(H2,26,27,29,30,31);3-8,10,29-30H,9H2,1-2H3,(H2,23,24,25,26,27,28).

What are the key properties of 2-N-(5-chloro-6-fluoro-3-pyridinyl)-4-N-(2,2-dimethylpropyl)-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3,5-triazine-2,4-diamine;3-(hydroxymethyl)-5-[4-(propan-2-ylamino)-6-[[2-(trifluoromethyl)-4-pyridinyl]amino]-1,3,5-triazin-2-yl]phenol;4-N-[2-(1-isocyanocyclopropyl)-4-pyridinyl]-2-N-propan-2-yl-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3,5-triazine-2,4-diamine;4-N-[2-(2-isocyanopropan-2-yl)-4-pyridinyl]-2-N-propan-2-yl-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3,5-triazine-2,4-diamine;2-N-(1-methylpiperidin-4-yl)-4-N,6-diphenyl-1,3,5-triazine-2,4-diamine?

2-N-(5-chloro-6-fluoro-3-pyridinyl)-4-N-(2,2-dimethylpropyl)-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3,5-triazine-2,4-diamine;3-(hydroxymethyl)-5-[4-(propan-2-ylamino)-6-[[2-(trifluoromethyl)-4-pyridinyl]amino]-1,3,5-triazin-2-yl]phenol;4-N-[2-(1-isocyanocyclopropyl)-4-pyridinyl]-2-N-propan-2-yl-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3,5-triazine-2,4-diamine;4-N-[2-(2-isocyanopropan-2-yl)-4-pyridinyl]-2-N-propan-2-yl-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3,5-triazine-2,4-diamine;2-N-(1-methylpiperidin-4-yl)-4-N,6-diphenyl-1,3,5-triazine-2,4-diamine has a molecular weight of 2119.59 g/mol, XLogP of 22.73, 28 rotatable bonds, 12 hydrogen bond donors, and 35 hydrogen bond acceptors.

Where does this data come from?

All data for 2-N-(5-chloro-6-fluoro-3-pyridinyl)-4-N-(2,2-dimethylpropyl)-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3,5-triazine-2,4-diamine;3-(hydroxymethyl)-5-[4-(propan-2-ylamino)-6-[[2-(trifluoromethyl)-4-pyridinyl]amino]-1,3,5-triazin-2-yl]phenol;4-N-[2-(1-isocyanocyclopropyl)-4-pyridinyl]-2-N-propan-2-yl-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3,5-triazine-2,4-diamine;4-N-[2-(2-isocyanopropan-2-yl)-4-pyridinyl]-2-N-propan-2-yl-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3,5-triazine-2,4-diamine;2-N-(1-methylpiperidin-4-yl)-4-N,6-diphenyl-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 158084477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).