4-N-(3-chloro-5-methylsulfonylphenyl)-2-N-propan-2-yl-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3,5-triazine-2,4-diamine;4-N-(2-cyclopropyl-4-pyridinyl)-2-N-propan-2-yl-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3,5-triazine-2,4-diamine;1-[[4-(3,5-difluoroanilino)-6-[6-(1,1-difluoroethyl)-2-pyridinyl]-1,3,5-triazin-2-yl]amino]-2-methylpropan-2-ol;4-N-[2-(1-methoxycyclopropyl)-4-pyridinyl]-2-N-propan-2-yl-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3,5-triazine-2,4-diamine;2-N-(2-methylbutan-2-yl)-4-N-[2-(trifluoromethyl)-4-pyridinyl]-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3,5-triazine-2,4-diamine

C100H99ClF19N33O4S — CID 158500271

About 4-N-(3-chloro-5-methylsulfonylphenyl)-2-N-propan-2-yl-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3,5-triazine-2,4-diamine;4-N-(2-cyclopropyl-4-pyridinyl)-2-N-propan-2-yl-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3,5-triazine-2,4-diamine;1-[[4-(3,5-difluoroanilino)-6-[6-(1,1-difluoroethyl)-2-pyridinyl]-1,3,5-triazin-2-yl]amino]-2-methylpropan-2-ol;4-N-[2-(1-methoxycyclopropyl)-4-pyridinyl]-2-N-propan-2-yl-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3,5-triazine-2,4-diamine;2-N-(2-methylbutan-2-yl)-4-N-[2-(trifluoromethyl)-4-pyridinyl]-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3,5-triazine-2,4-diamine

4-N-(3-chloro-5-methylsulfonylphenyl)-2-N-propan-2-yl-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3,5-triazine-2,4-diamine;4-N-(2-cyclopropyl-4-pyridinyl)-2-N-propan-2-yl-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3,5-triazine-2,4-diamine;1-[[4-(3,5-difluoroanilino)-6-[6-(1,1-difluoroethyl)-2-pyridinyl]-1,3,5-triazin-2-yl]amino]-2-methylpropan-2-ol;4-N-[2-(1-methoxycyclopropyl)-4-pyridinyl]-2-N-propan-2-yl-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3,5-triazine-2,4-diamine;2-N-(2-methylbutan-2-yl)-4-N-[2-(trifluoromethyl)-4-pyridinyl]-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3,5-triazine-2,4-diamine (PubChem CID 158500271) has the molecular formula C100H99ClF19N33O4S and a molecular weight of 2255.60 g/mol. Its IUPAC name is 4-N-(3-chloro-5-methylsulfonylphenyl)-2-N-propan-2-yl-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3,5-triazine-2,4-diamine;4-N-(2-cyclopropyl-4-pyridinyl)-2-N-propan-2-yl-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3,5-triazine-2,4-diamine;1-[[4-(3,5-difluoroanilino)-6-[6-(1,1-difluoroethyl)-2-pyridinyl]-1,3,5-triazin-2-yl]amino]-2-methylpropan-2-ol;4-N-[2-(1-methoxycyclopropyl)-4-pyridinyl]-2-N-propan-2-yl-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3,5-triazine-2,4-diamine;2-N-(2-methylbutan-2-yl)-4-N-[2-(trifluoromethyl)-4-pyridinyl]-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3,5-triazine-2,4-diamine.

Molecular Properties

• Compound Name: 4-N-(3-chloro-5-methylsulfonylphenyl)-2-N-propan-2-yl-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3,5-triazine-2,4-diamine;4-N-(2-cyclopropyl-4-pyridinyl)-2-N-propan-2-yl-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3,5-triazine-2,4-diamine;1-[[4-(3,5-difluoroanilino)-6-[6-(1,1-difluoroethyl)-2-pyridinyl]-1,3,5-triazin-2-yl]amino]-2-methylpropan-2-ol;4-N-[2-(1-methoxycyclopropyl)-4-pyridinyl]-2-N-propan-2-yl-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3,5-triazine-2,4-diamine;2-N-(2-methylbutan-2-yl)-4-N-[2-(trifluoromethyl)-4-pyridinyl]-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3,5-triazine-2,4-diamine
• PubChem CID: 158500271
• Molecular Formula: C100H99ClF19N33O4S
• Molecular Weight: 2255.60 g/mol
• Exact Mass: 2253.77
• IUPAC Name: 4-N-(3-chloro-5-methylsulfonylphenyl)-2-N-propan-2-yl-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3,5-triazine-2,4-diamine;4-N-(2-cyclopropyl-4-pyridinyl)-2-N-propan-2-yl-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3,5-triazine-2,4-diamine;1-[[4-(3,5-difluoroanilino)-6-[6-(1,1-difluoroethyl)-2-pyridinyl]-1,3,5-triazin-2-yl]amino]-2-methylpropan-2-ol;4-N-[2-(1-methoxycyclopropyl)-4-pyridinyl]-2-N-propan-2-yl-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3,5-triazine-2,4-diamine;2-N-(2-methylbutan-2-yl)-4-N-[2-(trifluoromethyl)-4-pyridinyl]-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3,5-triazine-2,4-diamine
• SMILES: CC(C)(O)CNc1nc(Nc2cc(F)cc(F)c2)nc(-c2cccc(C(C)(F)F)n2)n1.CC(C)Nc1nc(Nc2cc(Cl)cc(S(C)(=O)=O)c2)nc(-c2cccc(C(F)(F)F)n2)n1.CC(C)Nc1nc(Nc2ccnc(C3CC3)c2)nc(-c2cccc(C(F)(F)F)n2)n1.CCC(C)(C)Nc1nc(Nc2ccnc(C(F)(F)F)c2)nc(-c2cccc(C(F)(F)F)n2)n1.COC1(c2cc(Nc3nc(NC(C)C)nc(-c4cccc(C(F)(F)F)n4)n3)ccn2)CC1
• InChI: InChI=1S/C21H22F3N7O.C20H19F6N7.C20H20F4N6O.C20H20F3N7.C19H18ClF3N6O2S/c1-12(2)26-18-29-17(14-5-4-6-15(28-14)21(22,23)24)30-19(31-18)27-13-7-10-25-16(11-13)20(32-3)8-9-20;1-4-18(2,3)33-17-31-15(12-6-5-7-13(29-12)19(21,22)23)30-16(32-17)28-11-8-9-27-14(10-11)20(24,25)26;1-19(2,31)10-25-17-28-16(14-5-4-6-15(27-14)20(3,23)24)29-18(30-17)26-13-8-11(21)7-12(22)9-13;1-11(2)25-18-28-17(14-4-3-5-16(27-14)20(21,22)23)29-19(30-18)26-13-8-9-24-15(10-13)12-6-7-12;1-10(2)24-17-27-16(14-5-4-6-15(26-14)19(21,22)23)28-18(29-17)25-12-7-11(20)8-13(9-12)32(3,30)31/h4-7,10-12H,8-9H2,1-3H3,(H2,25,26,27,29,30,31);5-10H,4H2,1-3H3,(H2,27,28,30,31,32,33);4-9,31H,10H2,1-3H3,(H2,25,26,28,29,30);3-5,8-12H,6-7H2,1-2H3,(H2,24,25,26,28,29,30);4-10H,1-3H3,(H2,24,25,27,28,29)
• InChIKey: HJUMBUHHCGYDOA-UHFFFAOYSA-N
• XLogP: 23.87
• TPSA: 480.37 Ų
• H-Bond Donors: 11
• H-Bond Acceptors: 37
• Rotatable Bonds: 32
• Heavy Atoms: 158
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2255.60
LogP ≤ 5	23.87
H-Bond Donors ≤ 5	11
H-Bond Acceptors ≤ 10	37

Frequently Asked Questions

What is the IUPAC name of 4-N-(3-chloro-5-methylsulfonylphenyl)-2-N-propan-2-yl-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3,5-triazine-2,4-diamine;4-N-(2-cyclopropyl-4-pyridinyl)-2-N-propan-2-yl-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3,5-triazine-2,4-diamine;1-[[4-(3,5-difluoroanilino)-6-[6-(1,1-difluoroethyl)-2-pyridinyl]-1,3,5-triazin-2-yl]amino]-2-methylpropan-2-ol;4-N-[2-(1-methoxycyclopropyl)-4-pyridinyl]-2-N-propan-2-yl-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3,5-triazine-2,4-diamine;2-N-(2-methylbutan-2-yl)-4-N-[2-(trifluoromethyl)-4-pyridinyl]-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3,5-triazine-2,4-diamine?

The IUPAC name of 4-N-(3-chloro-5-methylsulfonylphenyl)-2-N-propan-2-yl-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3,5-triazine-2,4-diamine;4-N-(2-cyclopropyl-4-pyridinyl)-2-N-propan-2-yl-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3,5-triazine-2,4-diamine;1-[[4-(3,5-difluoroanilino)-6-[6-(1,1-difluoroethyl)-2-pyridinyl]-1,3,5-triazin-2-yl]amino]-2-methylpropan-2-ol;4-N-[2-(1-methoxycyclopropyl)-4-pyridinyl]-2-N-propan-2-yl-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3,5-triazine-2,4-diamine;2-N-(2-methylbutan-2-yl)-4-N-[2-(trifluoromethyl)-4-pyridinyl]-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3,5-triazine-2,4-diamine (CID 158500271) is 4-N-(3-chloro-5-methylsulfonylphenyl)-2-N-propan-2-yl-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3,5-triazine-2,4-diamine;4-N-(2-cyclopropyl-4-pyridinyl)-2-N-propan-2-yl-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3,5-triazine-2,4-diamine;1-[[4-(3,5-difluoroanilino)-6-[6-(1,1-difluoroethyl)-2-pyridinyl]-1,3,5-triazin-2-yl]amino]-2-methylpropan-2-ol;4-N-[2-(1-methoxycyclopropyl)-4-pyridinyl]-2-N-propan-2-yl-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3,5-triazine-2,4-diamine;2-N-(2-methylbutan-2-yl)-4-N-[2-(trifluoromethyl)-4-pyridinyl]-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3,5-triazine-2,4-diamine.

What is the SMILES notation for 4-N-(3-chloro-5-methylsulfonylphenyl)-2-N-propan-2-yl-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3,5-triazine-2,4-diamine;4-N-(2-cyclopropyl-4-pyridinyl)-2-N-propan-2-yl-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3,5-triazine-2,4-diamine;1-[[4-(3,5-difluoroanilino)-6-[6-(1,1-difluoroethyl)-2-pyridinyl]-1,3,5-triazin-2-yl]amino]-2-methylpropan-2-ol;4-N-[2-(1-methoxycyclopropyl)-4-pyridinyl]-2-N-propan-2-yl-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3,5-triazine-2,4-diamine;2-N-(2-methylbutan-2-yl)-4-N-[2-(trifluoromethyl)-4-pyridinyl]-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3,5-triazine-2,4-diamine?

The canonical SMILES for 4-N-(3-chloro-5-methylsulfonylphenyl)-2-N-propan-2-yl-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3,5-triazine-2,4-diamine;4-N-(2-cyclopropyl-4-pyridinyl)-2-N-propan-2-yl-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3,5-triazine-2,4-diamine;1-[[4-(3,5-difluoroanilino)-6-[6-(1,1-difluoroethyl)-2-pyridinyl]-1,3,5-triazin-2-yl]amino]-2-methylpropan-2-ol;4-N-[2-(1-methoxycyclopropyl)-4-pyridinyl]-2-N-propan-2-yl-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3,5-triazine-2,4-diamine;2-N-(2-methylbutan-2-yl)-4-N-[2-(trifluoromethyl)-4-pyridinyl]-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3,5-triazine-2,4-diamine is CC(C)(O)CNc1nc(Nc2cc(F)cc(F)c2)nc(-c2cccc(C(C)(F)F)n2)n1.CC(C)Nc1nc(Nc2cc(Cl)cc(S(C)(=O)=O)c2)nc(-c2cccc(C(F)(F)F)n2)n1.CC(C)Nc1nc(Nc2ccnc(C3CC3)c2)nc(-c2cccc(C(F)(F)F)n2)n1.CCC(C)(C)Nc1nc(Nc2ccnc(C(F)(F)F)c2)nc(-c2cccc(C(F)(F)F)n2)n1.COC1(c2cc(Nc3nc(NC(C)C)nc(-c4cccc(C(F)(F)F)n4)n3)ccn2)CC1.

What is the InChIKey of 4-N-(3-chloro-5-methylsulfonylphenyl)-2-N-propan-2-yl-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3,5-triazine-2,4-diamine;4-N-(2-cyclopropyl-4-pyridinyl)-2-N-propan-2-yl-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3,5-triazine-2,4-diamine;1-[[4-(3,5-difluoroanilino)-6-[6-(1,1-difluoroethyl)-2-pyridinyl]-1,3,5-triazin-2-yl]amino]-2-methylpropan-2-ol;4-N-[2-(1-methoxycyclopropyl)-4-pyridinyl]-2-N-propan-2-yl-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3,5-triazine-2,4-diamine;2-N-(2-methylbutan-2-yl)-4-N-[2-(trifluoromethyl)-4-pyridinyl]-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3,5-triazine-2,4-diamine?

The InChIKey is HJUMBUHHCGYDOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22F3N7O.C20H19F6N7.C20H20F4N6O.C20H20F3N7.C19H18ClF3N6O2S/c1-12(2)26-18-29-17(14-5-4-6-15(28-14)21(22,23)24)30-19(31-18)27-13-7-10-25-16(11-13)20(32-3)8-9-20;1-4-18(2,3)33-17-31-15(12-6-5-7-13(29-12)19(21,22)23)30-16(32-17)28-11-8-9-27-14(10-11)20(24,25)26;1-19(2,31)10-25-17-28-16(14-5-4-6-15(27-14)20(3,23)24)29-18(30-17)26-13-8-11(21)7-12(22)9-13;1-11(2)25-18-28-17(14-4-3-5-16(27-14)20(21,22)23)29-19(30-18)26-13-8-9-24-15(10-13)12-6-7-12;1-10(2)24-17-27-16(14-5-4-6-15(26-14)19(21,22)23)28-18(29-17)25-12-7-11(20)8-13(9-12)32(3,30)31/h4-7,10-12H,8-9H2,1-3H3,(H2,25,26,27,29,30,31);5-10H,4H2,1-3H3,(H2,27,28,30,31,32,33);4-9,31H,10H2,1-3H3,(H2,25,26,28,29,30);3-5,8-12H,6-7H2,1-2H3,(H2,24,25,26,28,29,30);4-10H,1-3H3,(H2,24,25,27,28,29).

What are the key properties of 4-N-(3-chloro-5-methylsulfonylphenyl)-2-N-propan-2-yl-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3,5-triazine-2,4-diamine;4-N-(2-cyclopropyl-4-pyridinyl)-2-N-propan-2-yl-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3,5-triazine-2,4-diamine;1-[[4-(3,5-difluoroanilino)-6-[6-(1,1-difluoroethyl)-2-pyridinyl]-1,3,5-triazin-2-yl]amino]-2-methylpropan-2-ol;4-N-[2-(1-methoxycyclopropyl)-4-pyridinyl]-2-N-propan-2-yl-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3,5-triazine-2,4-diamine;2-N-(2-methylbutan-2-yl)-4-N-[2-(trifluoromethyl)-4-pyridinyl]-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3,5-triazine-2,4-diamine?

4-N-(3-chloro-5-methylsulfonylphenyl)-2-N-propan-2-yl-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3,5-triazine-2,4-diamine;4-N-(2-cyclopropyl-4-pyridinyl)-2-N-propan-2-yl-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3,5-triazine-2,4-diamine;1-[[4-(3,5-difluoroanilino)-6-[6-(1,1-difluoroethyl)-2-pyridinyl]-1,3,5-triazin-2-yl]amino]-2-methylpropan-2-ol;4-N-[2-(1-methoxycyclopropyl)-4-pyridinyl]-2-N-propan-2-yl-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3,5-triazine-2,4-diamine;2-N-(2-methylbutan-2-yl)-4-N-[2-(trifluoromethyl)-4-pyridinyl]-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3,5-triazine-2,4-diamine has a molecular weight of 2255.60 g/mol, XLogP of 23.87, 32 rotatable bonds, 11 hydrogen bond donors, and 37 hydrogen bond acceptors.

Where does this data come from?

All data for 4-N-(3-chloro-5-methylsulfonylphenyl)-2-N-propan-2-yl-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3,5-triazine-2,4-diamine;4-N-(2-cyclopropyl-4-pyridinyl)-2-N-propan-2-yl-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3,5-triazine-2,4-diamine;1-[[4-(3,5-difluoroanilino)-6-[6-(1,1-difluoroethyl)-2-pyridinyl]-1,3,5-triazin-2-yl]amino]-2-methylpropan-2-ol;4-N-[2-(1-methoxycyclopropyl)-4-pyridinyl]-2-N-propan-2-yl-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3,5-triazine-2,4-diamine;2-N-(2-methylbutan-2-yl)-4-N-[2-(trifluoromethyl)-4-pyridinyl]-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 158500271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).