2-N-tert-butyl-4-N-(3-chloro-5-methylsulfonylphenyl)-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3,5-triazine-2,4-diamine;2-N-tert-butyl-4-N-(3,5-difluorophenyl)-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3,5-triazine-2,4-diamine;2-N-(3-chloro-5-methylsulfonylphenyl)-4-N-(cyclopropylmethyl)-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3,5-triazine-2,4-diamine;4-N-(cyclopropylmethyl)-2-N-(3,5-difluorophenyl)-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3,5-triazine-2,4-diamine;4-N-(cyclopropylmethyl)-2-N-[2-(trifluoromethyl)-4-pyridinyl]-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3,5-triazine-2,4-diamine

C97H85Cl2F22N31O4S2 — CID 158446158

About 2-N-tert-butyl-4-N-(3-chloro-5-methylsulfonylphenyl)-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3,5-triazine-2,4-diamine;2-N-tert-butyl-4-N-(3,5-difluorophenyl)-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3,5-triazine-2,4-diamine;2-N-(3-chloro-5-methylsulfonylphenyl)-4-N-(cyclopropylmethyl)-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3,5-triazine-2,4-diamine;4-N-(cyclopropylmethyl)-2-N-(3,5-difluorophenyl)-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3,5-triazine-2,4-diamine;4-N-(cyclopropylmethyl)-2-N-[2-(trifluoromethyl)-4-pyridinyl]-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3,5-triazine-2,4-diamine

2-N-tert-butyl-4-N-(3-chloro-5-methylsulfonylphenyl)-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3,5-triazine-2,4-diamine;2-N-tert-butyl-4-N-(3,5-difluorophenyl)-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3,5-triazine-2,4-diamine;2-N-(3-chloro-5-methylsulfonylphenyl)-4-N-(cyclopropylmethyl)-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3,5-triazine-2,4-diamine;4-N-(cyclopropylmethyl)-2-N-(3,5-difluorophenyl)-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3,5-triazine-2,4-diamine;4-N-(cyclopropylmethyl)-2-N-[2-(trifluoromethyl)-4-pyridinyl]-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3,5-triazine-2,4-diamine (PubChem CID 158446158) has the molecular formula C97H85Cl2F22N31O4S2 and a molecular weight of 2301.96 g/mol. Its IUPAC name is 2-N-tert-butyl-4-N-(3-chloro-5-methylsulfonylphenyl)-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3,5-triazine-2,4-diamine;2-N-tert-butyl-4-N-(3,5-difluorophenyl)-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3,5-triazine-2,4-diamine;2-N-(3-chloro-5-methylsulfonylphenyl)-4-N-(cyclopropylmethyl)-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3,5-triazine-2,4-diamine;4-N-(cyclopropylmethyl)-2-N-(3,5-difluorophenyl)-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3,5-triazine-2,4-diamine;4-N-(cyclopropylmethyl)-2-N-[2-(trifluoromethyl)-4-pyridinyl]-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3,5-triazine-2,4-diamine.

Molecular Properties

• Compound Name: 2-N-tert-butyl-4-N-(3-chloro-5-methylsulfonylphenyl)-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3,5-triazine-2,4-diamine;2-N-tert-butyl-4-N-(3,5-difluorophenyl)-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3,5-triazine-2,4-diamine;2-N-(3-chloro-5-methylsulfonylphenyl)-4-N-(cyclopropylmethyl)-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3,5-triazine-2,4-diamine;4-N-(cyclopropylmethyl)-2-N-(3,5-difluorophenyl)-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3,5-triazine-2,4-diamine;4-N-(cyclopropylmethyl)-2-N-[2-(trifluoromethyl)-4-pyridinyl]-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3,5-triazine-2,4-diamine
• PubChem CID: 158446158
• Molecular Formula: C97H85Cl2F22N31O4S2
• Molecular Weight: 2301.96 g/mol
• Exact Mass: 2299.59
• IUPAC Name: 2-N-tert-butyl-4-N-(3-chloro-5-methylsulfonylphenyl)-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3,5-triazine-2,4-diamine;2-N-tert-butyl-4-N-(3,5-difluorophenyl)-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3,5-triazine-2,4-diamine;2-N-(3-chloro-5-methylsulfonylphenyl)-4-N-(cyclopropylmethyl)-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3,5-triazine-2,4-diamine;4-N-(cyclopropylmethyl)-2-N-(3,5-difluorophenyl)-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3,5-triazine-2,4-diamine;4-N-(cyclopropylmethyl)-2-N-[2-(trifluoromethyl)-4-pyridinyl]-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3,5-triazine-2,4-diamine
• SMILES: CC(C)(C)Nc1nc(Nc2cc(Cl)cc(S(C)(=O)=O)c2)nc(-c2cccc(C(F)(F)F)n2)n1.CC(C)(C)Nc1nc(Nc2cc(F)cc(F)c2)nc(-c2cccc(C(F)(F)F)n2)n1.CS(=O)(=O)c1cc(Cl)cc(Nc2nc(NCC3CC3)nc(-c3cccc(C(F)(F)F)n3)n2)c1.FC(F)(F)c1cc(Nc2nc(NCC3CC3)nc(-c3cccc(C(F)(F)F)n3)n2)ccn1.Fc1cc(F)cc(Nc2nc(NCC3CC3)nc(-c3cccc(C(F)(F)F)n3)n2)c1
• InChI: InChI=1S/C20H18ClF3N6O2S.C20H20ClF3N6O2S.C19H15F6N7.C19H15F5N6.C19H17F5N6/c1-33(31,32)14-8-12(21)7-13(9-14)26-19-29-17(28-18(30-19)25-10-11-5-6-11)15-3-2-4-16(27-15)20(22,23)24;1-19(2,3)30-18-28-16(14-6-5-7-15(26-14)20(22,23)24)27-17(29-18)25-12-8-11(21)9-13(10-12)33(4,31)32;20-18(21,22)13-3-1-2-12(29-13)15-30-16(27-9-10-4-5-10)32-17(31-15)28-11-6-7-26-14(8-11)19(23,24)25;20-11-6-12(21)8-13(7-11)26-18-29-16(28-17(30-18)25-9-10-4-5-10)14-2-1-3-15(27-14)19(22,23)24;1-18(2,3)30-17-28-15(13-5-4-6-14(26-13)19(22,23)24)27-16(29-17)25-12-8-10(20)7-11(21)9-12/h2-4,7-9,11H,5-6,10H2,1H3,(H2,25,26,28,29,30);5-10H,1-4H3,(H2,25,27,28,29,30);1-3,6-8,10H,4-5,9H2,(H2,26,27,28,30,31,32);1-3,6-8,10H,4-5,9H2,(H2,25,26,28,29,30);4-9H,1-3H3,(H2,25,27,28,29,30)
• InChIKey: HDKOEJQQZZFRHF-UHFFFAOYSA-N
• XLogP: 24.45
• TPSA: 459.27 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 35
• Rotatable Bonds: 28
• Heavy Atoms: 158
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2301.96
LogP ≤ 5	24.45
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	35

Frequently Asked Questions

What is the IUPAC name of 2-N-tert-butyl-4-N-(3-chloro-5-methylsulfonylphenyl)-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3,5-triazine-2,4-diamine;2-N-tert-butyl-4-N-(3,5-difluorophenyl)-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3,5-triazine-2,4-diamine;2-N-(3-chloro-5-methylsulfonylphenyl)-4-N-(cyclopropylmethyl)-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3,5-triazine-2,4-diamine;4-N-(cyclopropylmethyl)-2-N-(3,5-difluorophenyl)-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3,5-triazine-2,4-diamine;4-N-(cyclopropylmethyl)-2-N-[2-(trifluoromethyl)-4-pyridinyl]-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3,5-triazine-2,4-diamine?

The IUPAC name of 2-N-tert-butyl-4-N-(3-chloro-5-methylsulfonylphenyl)-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3,5-triazine-2,4-diamine;2-N-tert-butyl-4-N-(3,5-difluorophenyl)-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3,5-triazine-2,4-diamine;2-N-(3-chloro-5-methylsulfonylphenyl)-4-N-(cyclopropylmethyl)-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3,5-triazine-2,4-diamine;4-N-(cyclopropylmethyl)-2-N-(3,5-difluorophenyl)-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3,5-triazine-2,4-diamine;4-N-(cyclopropylmethyl)-2-N-[2-(trifluoromethyl)-4-pyridinyl]-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3,5-triazine-2,4-diamine (CID 158446158) is 2-N-tert-butyl-4-N-(3-chloro-5-methylsulfonylphenyl)-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3,5-triazine-2,4-diamine;2-N-tert-butyl-4-N-(3,5-difluorophenyl)-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3,5-triazine-2,4-diamine;2-N-(3-chloro-5-methylsulfonylphenyl)-4-N-(cyclopropylmethyl)-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3,5-triazine-2,4-diamine;4-N-(cyclopropylmethyl)-2-N-(3,5-difluorophenyl)-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3,5-triazine-2,4-diamine;4-N-(cyclopropylmethyl)-2-N-[2-(trifluoromethyl)-4-pyridinyl]-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3,5-triazine-2,4-diamine.

What is the SMILES notation for 2-N-tert-butyl-4-N-(3-chloro-5-methylsulfonylphenyl)-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3,5-triazine-2,4-diamine;2-N-tert-butyl-4-N-(3,5-difluorophenyl)-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3,5-triazine-2,4-diamine;2-N-(3-chloro-5-methylsulfonylphenyl)-4-N-(cyclopropylmethyl)-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3,5-triazine-2,4-diamine;4-N-(cyclopropylmethyl)-2-N-(3,5-difluorophenyl)-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3,5-triazine-2,4-diamine;4-N-(cyclopropylmethyl)-2-N-[2-(trifluoromethyl)-4-pyridinyl]-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3,5-triazine-2,4-diamine?

The canonical SMILES for 2-N-tert-butyl-4-N-(3-chloro-5-methylsulfonylphenyl)-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3,5-triazine-2,4-diamine;2-N-tert-butyl-4-N-(3,5-difluorophenyl)-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3,5-triazine-2,4-diamine;2-N-(3-chloro-5-methylsulfonylphenyl)-4-N-(cyclopropylmethyl)-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3,5-triazine-2,4-diamine;4-N-(cyclopropylmethyl)-2-N-(3,5-difluorophenyl)-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3,5-triazine-2,4-diamine;4-N-(cyclopropylmethyl)-2-N-[2-(trifluoromethyl)-4-pyridinyl]-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3,5-triazine-2,4-diamine is CC(C)(C)Nc1nc(Nc2cc(Cl)cc(S(C)(=O)=O)c2)nc(-c2cccc(C(F)(F)F)n2)n1.CC(C)(C)Nc1nc(Nc2cc(F)cc(F)c2)nc(-c2cccc(C(F)(F)F)n2)n1.CS(=O)(=O)c1cc(Cl)cc(Nc2nc(NCC3CC3)nc(-c3cccc(C(F)(F)F)n3)n2)c1.FC(F)(F)c1cc(Nc2nc(NCC3CC3)nc(-c3cccc(C(F)(F)F)n3)n2)ccn1.Fc1cc(F)cc(Nc2nc(NCC3CC3)nc(-c3cccc(C(F)(F)F)n3)n2)c1.

What is the InChIKey of 2-N-tert-butyl-4-N-(3-chloro-5-methylsulfonylphenyl)-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3,5-triazine-2,4-diamine;2-N-tert-butyl-4-N-(3,5-difluorophenyl)-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3,5-triazine-2,4-diamine;2-N-(3-chloro-5-methylsulfonylphenyl)-4-N-(cyclopropylmethyl)-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3,5-triazine-2,4-diamine;4-N-(cyclopropylmethyl)-2-N-(3,5-difluorophenyl)-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3,5-triazine-2,4-diamine;4-N-(cyclopropylmethyl)-2-N-[2-(trifluoromethyl)-4-pyridinyl]-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3,5-triazine-2,4-diamine?

The InChIKey is HDKOEJQQZZFRHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18ClF3N6O2S.C20H20ClF3N6O2S.C19H15F6N7.C19H15F5N6.C19H17F5N6/c1-33(31,32)14-8-12(21)7-13(9-14)26-19-29-17(28-18(30-19)25-10-11-5-6-11)15-3-2-4-16(27-15)20(22,23)24;1-19(2,3)30-18-28-16(14-6-5-7-15(26-14)20(22,23)24)27-17(29-18)25-12-8-11(21)9-13(10-12)33(4,31)32;20-18(21,22)13-3-1-2-12(29-13)15-30-16(27-9-10-4-5-10)32-17(31-15)28-11-6-7-26-14(8-11)19(23,24)25;20-11-6-12(21)8-13(7-11)26-18-29-16(28-17(30-18)25-9-10-4-5-10)14-2-1-3-15(27-14)19(22,23)24;1-18(2,3)30-17-28-15(13-5-4-6-14(26-13)19(22,23)24)27-16(29-17)25-12-8-10(20)7-11(21)9-12/h2-4,7-9,11H,5-6,10H2,1H3,(H2,25,26,28,29,30);5-10H,1-4H3,(H2,25,27,28,29,30);1-3,6-8,10H,4-5,9H2,(H2,26,27,28,30,31,32);1-3,6-8,10H,4-5,9H2,(H2,25,26,28,29,30);4-9H,1-3H3,(H2,25,27,28,29,30).

What are the key properties of 2-N-tert-butyl-4-N-(3-chloro-5-methylsulfonylphenyl)-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3,5-triazine-2,4-diamine;2-N-tert-butyl-4-N-(3,5-difluorophenyl)-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3,5-triazine-2,4-diamine;2-N-(3-chloro-5-methylsulfonylphenyl)-4-N-(cyclopropylmethyl)-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3,5-triazine-2,4-diamine;4-N-(cyclopropylmethyl)-2-N-(3,5-difluorophenyl)-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3,5-triazine-2,4-diamine;4-N-(cyclopropylmethyl)-2-N-[2-(trifluoromethyl)-4-pyridinyl]-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3,5-triazine-2,4-diamine?

2-N-tert-butyl-4-N-(3-chloro-5-methylsulfonylphenyl)-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3,5-triazine-2,4-diamine;2-N-tert-butyl-4-N-(3,5-difluorophenyl)-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3,5-triazine-2,4-diamine;2-N-(3-chloro-5-methylsulfonylphenyl)-4-N-(cyclopropylmethyl)-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3,5-triazine-2,4-diamine;4-N-(cyclopropylmethyl)-2-N-(3,5-difluorophenyl)-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3,5-triazine-2,4-diamine;4-N-(cyclopropylmethyl)-2-N-[2-(trifluoromethyl)-4-pyridinyl]-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3,5-triazine-2,4-diamine has a molecular weight of 2301.96 g/mol, XLogP of 24.45, 28 rotatable bonds, 10 hydrogen bond donors, and 35 hydrogen bond acceptors.

Where does this data come from?

All data for 2-N-tert-butyl-4-N-(3-chloro-5-methylsulfonylphenyl)-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3,5-triazine-2,4-diamine;2-N-tert-butyl-4-N-(3,5-difluorophenyl)-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3,5-triazine-2,4-diamine;2-N-(3-chloro-5-methylsulfonylphenyl)-4-N-(cyclopropylmethyl)-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3,5-triazine-2,4-diamine;4-N-(cyclopropylmethyl)-2-N-(3,5-difluorophenyl)-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3,5-triazine-2,4-diamine;4-N-(cyclopropylmethyl)-2-N-[2-(trifluoromethyl)-4-pyridinyl]-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 158446158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).