4-N-[3-(cyclopropylmethylsulfonyl)phenyl]-2-N-propan-2-yl-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3,5-triazine-2,4-diamine;2-N-(3,5-difluorophenyl)-4-N-[(1-methylcyclopropyl)methyl]-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3,5-triazine-2,4-diamine;2-N-(5,6-difluoro-3-pyridinyl)-4-N-(2,2-dimethylpropyl)-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3,5-triazine-2,4-diamine;4-N-(2-fluoro-4-pyridinyl)-2-N-propan-2-yl-6-[4-(trifluoromethyl)pyrimidin-2-yl]-1,3,5-triazine-2,4-diamine;2-N-propan-2-yl-4-N-[5-(trifluoromethyl)-3-pyridinyl]-6-[4-(trifluoromethyl)pyrimidin-2-yl]-1,3,5-triazine-2,4-diamine

C94H86F23N35O2S — CID 157132092

About 4-N-[3-(cyclopropylmethylsulfonyl)phenyl]-2-N-propan-2-yl-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3,5-triazine-2,4-diamine;2-N-(3,5-difluorophenyl)-4-N-[(1-methylcyclopropyl)methyl]-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3,5-triazine-2,4-diamine;2-N-(5,6-difluoro-3-pyridinyl)-4-N-(2,2-dimethylpropyl)-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3,5-triazine-2,4-diamine;4-N-(2-fluoro-4-pyridinyl)-2-N-propan-2-yl-6-[4-(trifluoromethyl)pyrimidin-2-yl]-1,3,5-triazine-2,4-diamine;2-N-propan-2-yl-4-N-[5-(trifluoromethyl)-3-pyridinyl]-6-[4-(trifluoromethyl)pyrimidin-2-yl]-1,3,5-triazine-2,4-diamine

4-N-[3-(cyclopropylmethylsulfonyl)phenyl]-2-N-propan-2-yl-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3,5-triazine-2,4-diamine;2-N-(3,5-difluorophenyl)-4-N-[(1-methylcyclopropyl)methyl]-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3,5-triazine-2,4-diamine;2-N-(5,6-difluoro-3-pyridinyl)-4-N-(2,2-dimethylpropyl)-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3,5-triazine-2,4-diamine;4-N-(2-fluoro-4-pyridinyl)-2-N-propan-2-yl-6-[4-(trifluoromethyl)pyrimidin-2-yl]-1,3,5-triazine-2,4-diamine;2-N-propan-2-yl-4-N-[5-(trifluoromethyl)-3-pyridinyl]-6-[4-(trifluoromethyl)pyrimidin-2-yl]-1,3,5-triazine-2,4-diamine (PubChem CID 157132092) has the molecular formula C94H86F23N35O2S and a molecular weight of 2206.99 g/mol. Its IUPAC name is 4-N-[3-(cyclopropylmethylsulfonyl)phenyl]-2-N-propan-2-yl-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3,5-triazine-2,4-diamine;2-N-(3,5-difluorophenyl)-4-N-[(1-methylcyclopropyl)methyl]-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3,5-triazine-2,4-diamine;2-N-(5,6-difluoro-3-pyridinyl)-4-N-(2,2-dimethylpropyl)-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3,5-triazine-2,4-diamine;4-N-(2-fluoro-4-pyridinyl)-2-N-propan-2-yl-6-[4-(trifluoromethyl)pyrimidin-2-yl]-1,3,5-triazine-2,4-diamine;2-N-propan-2-yl-4-N-[5-(trifluoromethyl)-3-pyridinyl]-6-[4-(trifluoromethyl)pyrimidin-2-yl]-1,3,5-triazine-2,4-diamine.

Molecular Properties

• Compound Name: 4-N-[3-(cyclopropylmethylsulfonyl)phenyl]-2-N-propan-2-yl-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3,5-triazine-2,4-diamine;2-N-(3,5-difluorophenyl)-4-N-[(1-methylcyclopropyl)methyl]-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3,5-triazine-2,4-diamine;2-N-(5,6-difluoro-3-pyridinyl)-4-N-(2,2-dimethylpropyl)-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3,5-triazine-2,4-diamine;4-N-(2-fluoro-4-pyridinyl)-2-N-propan-2-yl-6-[4-(trifluoromethyl)pyrimidin-2-yl]-1,3,5-triazine-2,4-diamine;2-N-propan-2-yl-4-N-[5-(trifluoromethyl)-3-pyridinyl]-6-[4-(trifluoromethyl)pyrimidin-2-yl]-1,3,5-triazine-2,4-diamine
• PubChem CID: 157132092
• Molecular Formula: C94H86F23N35O2S
• Molecular Weight: 2206.99 g/mol
• Exact Mass: 2205.71
• IUPAC Name: 4-N-[3-(cyclopropylmethylsulfonyl)phenyl]-2-N-propan-2-yl-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3,5-triazine-2,4-diamine;2-N-(3,5-difluorophenyl)-4-N-[(1-methylcyclopropyl)methyl]-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3,5-triazine-2,4-diamine;2-N-(5,6-difluoro-3-pyridinyl)-4-N-(2,2-dimethylpropyl)-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3,5-triazine-2,4-diamine;4-N-(2-fluoro-4-pyridinyl)-2-N-propan-2-yl-6-[4-(trifluoromethyl)pyrimidin-2-yl]-1,3,5-triazine-2,4-diamine;2-N-propan-2-yl-4-N-[5-(trifluoromethyl)-3-pyridinyl]-6-[4-(trifluoromethyl)pyrimidin-2-yl]-1,3,5-triazine-2,4-diamine
• SMILES: CC(C)(C)CNc1nc(Nc2cnc(F)c(F)c2)nc(-c2cccc(C(F)(F)F)n2)n1.CC(C)Nc1nc(Nc2cccc(S(=O)(=O)CC3CC3)c2)nc(-c2cccc(C(F)(F)F)n2)n1.CC(C)Nc1nc(Nc2ccnc(F)c2)nc(-c2nccc(C(F)(F)F)n2)n1.CC(C)Nc1nc(Nc2cncc(C(F)(F)F)c2)nc(-c2nccc(C(F)(F)F)n2)n1.CC1(CNc2nc(Nc3cc(F)cc(F)c3)nc(-c3cccc(C(F)(F)F)n3)n2)CC1
• InChI: InChI=1S/C22H23F3N6O2S.C20H17F5N6.C19H18F5N7.C17H14F6N8.C16H14F4N8/c1-13(2)26-20-29-19(17-7-4-8-18(28-17)22(23,24)25)30-21(31-20)27-15-5-3-6-16(11-15)34(32,33)12-14-9-10-14;1-19(5-6-19)10-26-17-29-16(14-3-2-4-15(28-14)20(23,24)25)30-18(31-17)27-13-8-11(21)7-12(22)9-13;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;1-8(2)26-14-29-13(12-25-4-3-11(28-12)17(21,22)23)30-15(31-14)27-10-5-9(6-24-7-10)16(18,19)20;1-8(2)23-14-26-13(12-22-6-4-10(25-12)16(18,19)20)27-15(28-14)24-9-3-5-21-11(17)7-9/h3-8,11,13-14H,9-10,12H2,1-2H3,(H2,26,27,29,30,31);2-4,7-9H,5-6,10H2,1H3,(H2,26,27,29,30,31);4-8H,9H2,1-3H3,(H2,26,27,29,30,31);3-8H,1-2H3,(H2,26,27,29,30,31);3-8H,1-2H3,(H2,21,23,24,26,27,28)
• InChIKey: AJEQWEPNGTUOQS-UHFFFAOYSA-N
• XLogP: 22.48
• TPSA: 476.69 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 37
• Rotatable Bonds: 29
• Heavy Atoms: 155
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2206.99
LogP ≤ 5	22.48
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	37

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 4-N-[3-(cyclopropylmethylsulfonyl)phenyl]-2-N-propan-2-yl-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3,5-triazine-2,4-diamine;2-N-(3,5-difluorophenyl)-4-N-[(1-methylcyclopropyl)methyl]-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3,5-triazine-2,4-diamine;2-N-(5,6-difluoro-3-pyridinyl)-4-N-(2,2-dimethylpropyl)-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3,5-triazine-2,4-diamine;4-N-(2-fluoro-4-pyridinyl)-2-N-propan-2-yl-6-[4-(trifluoromethyl)pyrimidin-2-yl]-1,3,5-triazine-2,4-diamine;2-N-propan-2-yl-4-N-[5-(trifluoromethyl)-3-pyridinyl]-6-[4-(trifluoromethyl)pyrimidin-2-yl]-1,3,5-triazine-2,4-diamine?

The IUPAC name of 4-N-[3-(cyclopropylmethylsulfonyl)phenyl]-2-N-propan-2-yl-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3,5-triazine-2,4-diamine;2-N-(3,5-difluorophenyl)-4-N-[(1-methylcyclopropyl)methyl]-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3,5-triazine-2,4-diamine;2-N-(5,6-difluoro-3-pyridinyl)-4-N-(2,2-dimethylpropyl)-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3,5-triazine-2,4-diamine;4-N-(2-fluoro-4-pyridinyl)-2-N-propan-2-yl-6-[4-(trifluoromethyl)pyrimidin-2-yl]-1,3,5-triazine-2,4-diamine;2-N-propan-2-yl-4-N-[5-(trifluoromethyl)-3-pyridinyl]-6-[4-(trifluoromethyl)pyrimidin-2-yl]-1,3,5-triazine-2,4-diamine (CID 157132092) is 4-N-[3-(cyclopropylmethylsulfonyl)phenyl]-2-N-propan-2-yl-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3,5-triazine-2,4-diamine;2-N-(3,5-difluorophenyl)-4-N-[(1-methylcyclopropyl)methyl]-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3,5-triazine-2,4-diamine;2-N-(5,6-difluoro-3-pyridinyl)-4-N-(2,2-dimethylpropyl)-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3,5-triazine-2,4-diamine;4-N-(2-fluoro-4-pyridinyl)-2-N-propan-2-yl-6-[4-(trifluoromethyl)pyrimidin-2-yl]-1,3,5-triazine-2,4-diamine;2-N-propan-2-yl-4-N-[5-(trifluoromethyl)-3-pyridinyl]-6-[4-(trifluoromethyl)pyrimidin-2-yl]-1,3,5-triazine-2,4-diamine.

What is the SMILES notation for 4-N-[3-(cyclopropylmethylsulfonyl)phenyl]-2-N-propan-2-yl-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3,5-triazine-2,4-diamine;2-N-(3,5-difluorophenyl)-4-N-[(1-methylcyclopropyl)methyl]-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3,5-triazine-2,4-diamine;2-N-(5,6-difluoro-3-pyridinyl)-4-N-(2,2-dimethylpropyl)-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3,5-triazine-2,4-diamine;4-N-(2-fluoro-4-pyridinyl)-2-N-propan-2-yl-6-[4-(trifluoromethyl)pyrimidin-2-yl]-1,3,5-triazine-2,4-diamine;2-N-propan-2-yl-4-N-[5-(trifluoromethyl)-3-pyridinyl]-6-[4-(trifluoromethyl)pyrimidin-2-yl]-1,3,5-triazine-2,4-diamine?

The canonical SMILES for 4-N-[3-(cyclopropylmethylsulfonyl)phenyl]-2-N-propan-2-yl-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3,5-triazine-2,4-diamine;2-N-(3,5-difluorophenyl)-4-N-[(1-methylcyclopropyl)methyl]-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3,5-triazine-2,4-diamine;2-N-(5,6-difluoro-3-pyridinyl)-4-N-(2,2-dimethylpropyl)-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3,5-triazine-2,4-diamine;4-N-(2-fluoro-4-pyridinyl)-2-N-propan-2-yl-6-[4-(trifluoromethyl)pyrimidin-2-yl]-1,3,5-triazine-2,4-diamine;2-N-propan-2-yl-4-N-[5-(trifluoromethyl)-3-pyridinyl]-6-[4-(trifluoromethyl)pyrimidin-2-yl]-1,3,5-triazine-2,4-diamine is CC(C)(C)CNc1nc(Nc2cnc(F)c(F)c2)nc(-c2cccc(C(F)(F)F)n2)n1.CC(C)Nc1nc(Nc2cccc(S(=O)(=O)CC3CC3)c2)nc(-c2cccc(C(F)(F)F)n2)n1.CC(C)Nc1nc(Nc2ccnc(F)c2)nc(-c2nccc(C(F)(F)F)n2)n1.CC(C)Nc1nc(Nc2cncc(C(F)(F)F)c2)nc(-c2nccc(C(F)(F)F)n2)n1.CC1(CNc2nc(Nc3cc(F)cc(F)c3)nc(-c3cccc(C(F)(F)F)n3)n2)CC1.

What is the InChIKey of 4-N-[3-(cyclopropylmethylsulfonyl)phenyl]-2-N-propan-2-yl-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3,5-triazine-2,4-diamine;2-N-(3,5-difluorophenyl)-4-N-[(1-methylcyclopropyl)methyl]-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3,5-triazine-2,4-diamine;2-N-(5,6-difluoro-3-pyridinyl)-4-N-(2,2-dimethylpropyl)-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3,5-triazine-2,4-diamine;4-N-(2-fluoro-4-pyridinyl)-2-N-propan-2-yl-6-[4-(trifluoromethyl)pyrimidin-2-yl]-1,3,5-triazine-2,4-diamine;2-N-propan-2-yl-4-N-[5-(trifluoromethyl)-3-pyridinyl]-6-[4-(trifluoromethyl)pyrimidin-2-yl]-1,3,5-triazine-2,4-diamine?

The InChIKey is AJEQWEPNGTUOQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23F3N6O2S.C20H17F5N6.C19H18F5N7.C17H14F6N8.C16H14F4N8/c1-13(2)26-20-29-19(17-7-4-8-18(28-17)22(23,24)25)30-21(31-20)27-15-5-3-6-16(11-15)34(32,33)12-14-9-10-14;1-19(5-6-19)10-26-17-29-16(14-3-2-4-15(28-14)20(23,24)25)30-18(31-17)27-13-8-11(21)7-12(22)9-13;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;1-8(2)26-14-29-13(12-25-4-3-11(28-12)17(21,22)23)30-15(31-14)27-10-5-9(6-24-7-10)16(18,19)20;1-8(2)23-14-26-13(12-22-6-4-10(25-12)16(18,19)20)27-15(28-14)24-9-3-5-21-11(17)7-9/h3-8,11,13-14H,9-10,12H2,1-2H3,(H2,26,27,29,30,31);2-4,7-9H,5-6,10H2,1H3,(H2,26,27,29,30,31);4-8H,9H2,1-3H3,(H2,26,27,29,30,31);3-8H,1-2H3,(H2,26,27,29,30,31);3-8H,1-2H3,(H2,21,23,24,26,27,28).

What are the key properties of 4-N-[3-(cyclopropylmethylsulfonyl)phenyl]-2-N-propan-2-yl-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3,5-triazine-2,4-diamine;2-N-(3,5-difluorophenyl)-4-N-[(1-methylcyclopropyl)methyl]-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3,5-triazine-2,4-diamine;2-N-(5,6-difluoro-3-pyridinyl)-4-N-(2,2-dimethylpropyl)-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3,5-triazine-2,4-diamine;4-N-(2-fluoro-4-pyridinyl)-2-N-propan-2-yl-6-[4-(trifluoromethyl)pyrimidin-2-yl]-1,3,5-triazine-2,4-diamine;2-N-propan-2-yl-4-N-[5-(trifluoromethyl)-3-pyridinyl]-6-[4-(trifluoromethyl)pyrimidin-2-yl]-1,3,5-triazine-2,4-diamine?

4-N-[3-(cyclopropylmethylsulfonyl)phenyl]-2-N-propan-2-yl-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3,5-triazine-2,4-diamine;2-N-(3,5-difluorophenyl)-4-N-[(1-methylcyclopropyl)methyl]-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3,5-triazine-2,4-diamine;2-N-(5,6-difluoro-3-pyridinyl)-4-N-(2,2-dimethylpropyl)-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3,5-triazine-2,4-diamine;4-N-(2-fluoro-4-pyridinyl)-2-N-propan-2-yl-6-[4-(trifluoromethyl)pyrimidin-2-yl]-1,3,5-triazine-2,4-diamine;2-N-propan-2-yl-4-N-[5-(trifluoromethyl)-3-pyridinyl]-6-[4-(trifluoromethyl)pyrimidin-2-yl]-1,3,5-triazine-2,4-diamine has a molecular weight of 2206.99 g/mol, XLogP of 22.48, 29 rotatable bonds, 10 hydrogen bond donors, and 37 hydrogen bond acceptors.

Where does this data come from?

All data for 4-N-[3-(cyclopropylmethylsulfonyl)phenyl]-2-N-propan-2-yl-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3,5-triazine-2,4-diamine;2-N-(3,5-difluorophenyl)-4-N-[(1-methylcyclopropyl)methyl]-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3,5-triazine-2,4-diamine;2-N-(5,6-difluoro-3-pyridinyl)-4-N-(2,2-dimethylpropyl)-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3,5-triazine-2,4-diamine;4-N-(2-fluoro-4-pyridinyl)-2-N-propan-2-yl-6-[4-(trifluoromethyl)pyrimidin-2-yl]-1,3,5-triazine-2,4-diamine;2-N-propan-2-yl-4-N-[5-(trifluoromethyl)-3-pyridinyl]-6-[4-(trifluoromethyl)pyrimidin-2-yl]-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 157132092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).