1-[(4-anilino-6-phenyl-1,3,5-triazin-2-yl)amino]-2-methylpropan-2-ol;4-N-(2-ethoxy-4-pyridinyl)-6-phenyl-2-N-propan-2-yl-1,3,5-triazine-2,4-diamine;4-N-(3-ethylsulfonylphenyl)-6-phenyl-2-N-propan-2-yl-1,3,5-triazine-2,4-diamine;2-[3-[[4-phenyl-6-(propan-2-ylamino)-1,3,5-triazin-2-yl]amino]phenyl]propan-2-ol;6-phenyl-2-N-propan-2-yl-4-N-(3-propylsulfonylphenyl)-1,3,5-triazine-2,4-diamine;6-phenyl-2-N-propan-2-yl-4-N-[2-(trifluoromethyl)-4-pyridinyl]-1,3,5-triazine-2,4-diamine

C118H133F3N32O7S2 — CID 160570947

About 1-[(4-anilino-6-phenyl-1,3,5-triazin-2-yl)amino]-2-methylpropan-2-ol;4-N-(2-ethoxy-4-pyridinyl)-6-phenyl-2-N-propan-2-yl-1,3,5-triazine-2,4-diamine;4-N-(3-ethylsulfonylphenyl)-6-phenyl-2-N-propan-2-yl-1,3,5-triazine-2,4-diamine;2-[3-[[4-phenyl-6-(propan-2-ylamino)-1,3,5-triazin-2-yl]amino]phenyl]propan-2-ol;6-phenyl-2-N-propan-2-yl-4-N-(3-propylsulfonylphenyl)-1,3,5-triazine-2,4-diamine;6-phenyl-2-N-propan-2-yl-4-N-[2-(trifluoromethyl)-4-pyridinyl]-1,3,5-triazine-2,4-diamine

1-[(4-anilino-6-phenyl-1,3,5-triazin-2-yl)amino]-2-methylpropan-2-ol;4-N-(2-ethoxy-4-pyridinyl)-6-phenyl-2-N-propan-2-yl-1,3,5-triazine-2,4-diamine;4-N-(3-ethylsulfonylphenyl)-6-phenyl-2-N-propan-2-yl-1,3,5-triazine-2,4-diamine;2-[3-[[4-phenyl-6-(propan-2-ylamino)-1,3,5-triazin-2-yl]amino]phenyl]propan-2-ol;6-phenyl-2-N-propan-2-yl-4-N-(3-propylsulfonylphenyl)-1,3,5-triazine-2,4-diamine;6-phenyl-2-N-propan-2-yl-4-N-[2-(trifluoromethyl)-4-pyridinyl]-1,3,5-triazine-2,4-diamine (PubChem CID 160570947) has the molecular formula C118H133F3N32O7S2 and a molecular weight of 2232.71 g/mol. Its IUPAC name is 1-[(4-anilino-6-phenyl-1,3,5-triazin-2-yl)amino]-2-methylpropan-2-ol;4-N-(2-ethoxy-4-pyridinyl)-6-phenyl-2-N-propan-2-yl-1,3,5-triazine-2,4-diamine;4-N-(3-ethylsulfonylphenyl)-6-phenyl-2-N-propan-2-yl-1,3,5-triazine-2,4-diamine;2-[3-[[4-phenyl-6-(propan-2-ylamino)-1,3,5-triazin-2-yl]amino]phenyl]propan-2-ol;6-phenyl-2-N-propan-2-yl-4-N-(3-propylsulfonylphenyl)-1,3,5-triazine-2,4-diamine;6-phenyl-2-N-propan-2-yl-4-N-[2-(trifluoromethyl)-4-pyridinyl]-1,3,5-triazine-2,4-diamine.

Molecular Properties

• Compound Name: 1-[(4-anilino-6-phenyl-1,3,5-triazin-2-yl)amino]-2-methylpropan-2-ol;4-N-(2-ethoxy-4-pyridinyl)-6-phenyl-2-N-propan-2-yl-1,3,5-triazine-2,4-diamine;4-N-(3-ethylsulfonylphenyl)-6-phenyl-2-N-propan-2-yl-1,3,5-triazine-2,4-diamine;2-[3-[[4-phenyl-6-(propan-2-ylamino)-1,3,5-triazin-2-yl]amino]phenyl]propan-2-ol;6-phenyl-2-N-propan-2-yl-4-N-(3-propylsulfonylphenyl)-1,3,5-triazine-2,4-diamine;6-phenyl-2-N-propan-2-yl-4-N-[2-(trifluoromethyl)-4-pyridinyl]-1,3,5-triazine-2,4-diamine
• PubChem CID: 160570947
• Molecular Formula: C118H133F3N32O7S2
• Molecular Weight: 2232.71 g/mol
• Exact Mass: 2231.04
• IUPAC Name: 1-[(4-anilino-6-phenyl-1,3,5-triazin-2-yl)amino]-2-methylpropan-2-ol;4-N-(2-ethoxy-4-pyridinyl)-6-phenyl-2-N-propan-2-yl-1,3,5-triazine-2,4-diamine;4-N-(3-ethylsulfonylphenyl)-6-phenyl-2-N-propan-2-yl-1,3,5-triazine-2,4-diamine;2-[3-[[4-phenyl-6-(propan-2-ylamino)-1,3,5-triazin-2-yl]amino]phenyl]propan-2-ol;6-phenyl-2-N-propan-2-yl-4-N-(3-propylsulfonylphenyl)-1,3,5-triazine-2,4-diamine;6-phenyl-2-N-propan-2-yl-4-N-[2-(trifluoromethyl)-4-pyridinyl]-1,3,5-triazine-2,4-diamine
• SMILES: CC(C)(O)CNc1nc(Nc2ccccc2)nc(-c2ccccc2)n1.CC(C)Nc1nc(Nc2cccc(C(C)(C)O)c2)nc(-c2ccccc2)n1.CC(C)Nc1nc(Nc2ccnc(C(F)(F)F)c2)nc(-c2ccccc2)n1.CCCS(=O)(=O)c1cccc(Nc2nc(NC(C)C)nc(-c3ccccc3)n2)c1.CCOc1cc(Nc2nc(NC(C)C)nc(-c3ccccc3)n2)ccn1.CCS(=O)(=O)c1cccc(Nc2nc(NC(C)C)nc(-c3ccccc3)n2)c1
• InChI: InChI=1S/C21H25N5O2S.C21H25N5O.C20H23N5O2S.C19H22N6O.C19H21N5O.C18H17F3N6/c1-4-13-29(27,28)18-12-8-11-17(14-18)23-21-25-19(16-9-6-5-7-10-16)24-20(26-21)22-15(2)3;1-14(2)22-19-24-18(15-9-6-5-7-10-15)25-20(26-19)23-17-12-8-11-16(13-17)21(3,4)27;1-4-28(26,27)17-12-8-11-16(13-17)22-20-24-18(15-9-6-5-7-10-15)23-19(25-20)21-14(2)3;1-4-26-16-12-15(10-11-20-16)22-19-24-17(14-8-6-5-7-9-14)23-18(25-19)21-13(2)3;1-19(2,25)13-20-17-22-16(14-9-5-3-6-10-14)23-18(24-17)21-15-11-7-4-8-12-15;1-11(2)23-16-25-15(12-6-4-3-5-7-12)26-17(27-16)24-13-8-9-22-14(10-13)18(19,20)21/h5-12,14-15H,4,13H2,1-3H3,(H2,22,23,24,25,26);5-14,27H,1-4H3,(H2,22,23,24,25,26);5-14H,4H2,1-3H3,(H2,21,22,23,24,25);5-13H,4H2,1-3H3,(H2,20,21,22,23,24,25);3-12,25H,13H2,1-2H3,(H2,20,21,22,23,24);3-11H,1-2H3,(H2,22,23,24,25,26,27)
• InChIKey: RANSCRJUDFWDLY-UHFFFAOYSA-N
• XLogP: 24.39
• TPSA: 520.13 Ų
• H-Bond Donors: 14
• H-Bond Acceptors: 39
• Rotatable Bonds: 39
• Heavy Atoms: 162
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2232.71
LogP ≤ 5	24.39
H-Bond Donors ≤ 5	14
H-Bond Acceptors ≤ 10	39

Frequently Asked Questions

What is the IUPAC name of 1-[(4-anilino-6-phenyl-1,3,5-triazin-2-yl)amino]-2-methylpropan-2-ol;4-N-(2-ethoxy-4-pyridinyl)-6-phenyl-2-N-propan-2-yl-1,3,5-triazine-2,4-diamine;4-N-(3-ethylsulfonylphenyl)-6-phenyl-2-N-propan-2-yl-1,3,5-triazine-2,4-diamine;2-[3-[[4-phenyl-6-(propan-2-ylamino)-1,3,5-triazin-2-yl]amino]phenyl]propan-2-ol;6-phenyl-2-N-propan-2-yl-4-N-(3-propylsulfonylphenyl)-1,3,5-triazine-2,4-diamine;6-phenyl-2-N-propan-2-yl-4-N-[2-(trifluoromethyl)-4-pyridinyl]-1,3,5-triazine-2,4-diamine?

The IUPAC name of 1-[(4-anilino-6-phenyl-1,3,5-triazin-2-yl)amino]-2-methylpropan-2-ol;4-N-(2-ethoxy-4-pyridinyl)-6-phenyl-2-N-propan-2-yl-1,3,5-triazine-2,4-diamine;4-N-(3-ethylsulfonylphenyl)-6-phenyl-2-N-propan-2-yl-1,3,5-triazine-2,4-diamine;2-[3-[[4-phenyl-6-(propan-2-ylamino)-1,3,5-triazin-2-yl]amino]phenyl]propan-2-ol;6-phenyl-2-N-propan-2-yl-4-N-(3-propylsulfonylphenyl)-1,3,5-triazine-2,4-diamine;6-phenyl-2-N-propan-2-yl-4-N-[2-(trifluoromethyl)-4-pyridinyl]-1,3,5-triazine-2,4-diamine (CID 160570947) is 1-[(4-anilino-6-phenyl-1,3,5-triazin-2-yl)amino]-2-methylpropan-2-ol;4-N-(2-ethoxy-4-pyridinyl)-6-phenyl-2-N-propan-2-yl-1,3,5-triazine-2,4-diamine;4-N-(3-ethylsulfonylphenyl)-6-phenyl-2-N-propan-2-yl-1,3,5-triazine-2,4-diamine;2-[3-[[4-phenyl-6-(propan-2-ylamino)-1,3,5-triazin-2-yl]amino]phenyl]propan-2-ol;6-phenyl-2-N-propan-2-yl-4-N-(3-propylsulfonylphenyl)-1,3,5-triazine-2,4-diamine;6-phenyl-2-N-propan-2-yl-4-N-[2-(trifluoromethyl)-4-pyridinyl]-1,3,5-triazine-2,4-diamine.

What is the SMILES notation for 1-[(4-anilino-6-phenyl-1,3,5-triazin-2-yl)amino]-2-methylpropan-2-ol;4-N-(2-ethoxy-4-pyridinyl)-6-phenyl-2-N-propan-2-yl-1,3,5-triazine-2,4-diamine;4-N-(3-ethylsulfonylphenyl)-6-phenyl-2-N-propan-2-yl-1,3,5-triazine-2,4-diamine;2-[3-[[4-phenyl-6-(propan-2-ylamino)-1,3,5-triazin-2-yl]amino]phenyl]propan-2-ol;6-phenyl-2-N-propan-2-yl-4-N-(3-propylsulfonylphenyl)-1,3,5-triazine-2,4-diamine;6-phenyl-2-N-propan-2-yl-4-N-[2-(trifluoromethyl)-4-pyridinyl]-1,3,5-triazine-2,4-diamine?

The canonical SMILES for 1-[(4-anilino-6-phenyl-1,3,5-triazin-2-yl)amino]-2-methylpropan-2-ol;4-N-(2-ethoxy-4-pyridinyl)-6-phenyl-2-N-propan-2-yl-1,3,5-triazine-2,4-diamine;4-N-(3-ethylsulfonylphenyl)-6-phenyl-2-N-propan-2-yl-1,3,5-triazine-2,4-diamine;2-[3-[[4-phenyl-6-(propan-2-ylamino)-1,3,5-triazin-2-yl]amino]phenyl]propan-2-ol;6-phenyl-2-N-propan-2-yl-4-N-(3-propylsulfonylphenyl)-1,3,5-triazine-2,4-diamine;6-phenyl-2-N-propan-2-yl-4-N-[2-(trifluoromethyl)-4-pyridinyl]-1,3,5-triazine-2,4-diamine is CC(C)(O)CNc1nc(Nc2ccccc2)nc(-c2ccccc2)n1.CC(C)Nc1nc(Nc2cccc(C(C)(C)O)c2)nc(-c2ccccc2)n1.CC(C)Nc1nc(Nc2ccnc(C(F)(F)F)c2)nc(-c2ccccc2)n1.CCCS(=O)(=O)c1cccc(Nc2nc(NC(C)C)nc(-c3ccccc3)n2)c1.CCOc1cc(Nc2nc(NC(C)C)nc(-c3ccccc3)n2)ccn1.CCS(=O)(=O)c1cccc(Nc2nc(NC(C)C)nc(-c3ccccc3)n2)c1.

What is the InChIKey of 1-[(4-anilino-6-phenyl-1,3,5-triazin-2-yl)amino]-2-methylpropan-2-ol;4-N-(2-ethoxy-4-pyridinyl)-6-phenyl-2-N-propan-2-yl-1,3,5-triazine-2,4-diamine;4-N-(3-ethylsulfonylphenyl)-6-phenyl-2-N-propan-2-yl-1,3,5-triazine-2,4-diamine;2-[3-[[4-phenyl-6-(propan-2-ylamino)-1,3,5-triazin-2-yl]amino]phenyl]propan-2-ol;6-phenyl-2-N-propan-2-yl-4-N-(3-propylsulfonylphenyl)-1,3,5-triazine-2,4-diamine;6-phenyl-2-N-propan-2-yl-4-N-[2-(trifluoromethyl)-4-pyridinyl]-1,3,5-triazine-2,4-diamine?

The InChIKey is RANSCRJUDFWDLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N5O2S.C21H25N5O.C20H23N5O2S.C19H22N6O.C19H21N5O.C18H17F3N6/c1-4-13-29(27,28)18-12-8-11-17(14-18)23-21-25-19(16-9-6-5-7-10-16)24-20(26-21)22-15(2)3;1-14(2)22-19-24-18(15-9-6-5-7-10-15)25-20(26-19)23-17-12-8-11-16(13-17)21(3,4)27;1-4-28(26,27)17-12-8-11-16(13-17)22-20-24-18(15-9-6-5-7-10-15)23-19(25-20)21-14(2)3;1-4-26-16-12-15(10-11-20-16)22-19-24-17(14-8-6-5-7-9-14)23-18(25-19)21-13(2)3;1-19(2,25)13-20-17-22-16(14-9-5-3-6-10-14)23-18(24-17)21-15-11-7-4-8-12-15;1-11(2)23-16-25-15(12-6-4-3-5-7-12)26-17(27-16)24-13-8-9-22-14(10-13)18(19,20)21/h5-12,14-15H,4,13H2,1-3H3,(H2,22,23,24,25,26);5-14,27H,1-4H3,(H2,22,23,24,25,26);5-14H,4H2,1-3H3,(H2,21,22,23,24,25);5-13H,4H2,1-3H3,(H2,20,21,22,23,24,25);3-12,25H,13H2,1-2H3,(H2,20,21,22,23,24);3-11H,1-2H3,(H2,22,23,24,25,26,27).

What are the key properties of 1-[(4-anilino-6-phenyl-1,3,5-triazin-2-yl)amino]-2-methylpropan-2-ol;4-N-(2-ethoxy-4-pyridinyl)-6-phenyl-2-N-propan-2-yl-1,3,5-triazine-2,4-diamine;4-N-(3-ethylsulfonylphenyl)-6-phenyl-2-N-propan-2-yl-1,3,5-triazine-2,4-diamine;2-[3-[[4-phenyl-6-(propan-2-ylamino)-1,3,5-triazin-2-yl]amino]phenyl]propan-2-ol;6-phenyl-2-N-propan-2-yl-4-N-(3-propylsulfonylphenyl)-1,3,5-triazine-2,4-diamine;6-phenyl-2-N-propan-2-yl-4-N-[2-(trifluoromethyl)-4-pyridinyl]-1,3,5-triazine-2,4-diamine?

1-[(4-anilino-6-phenyl-1,3,5-triazin-2-yl)amino]-2-methylpropan-2-ol;4-N-(2-ethoxy-4-pyridinyl)-6-phenyl-2-N-propan-2-yl-1,3,5-triazine-2,4-diamine;4-N-(3-ethylsulfonylphenyl)-6-phenyl-2-N-propan-2-yl-1,3,5-triazine-2,4-diamine;2-[3-[[4-phenyl-6-(propan-2-ylamino)-1,3,5-triazin-2-yl]amino]phenyl]propan-2-ol;6-phenyl-2-N-propan-2-yl-4-N-(3-propylsulfonylphenyl)-1,3,5-triazine-2,4-diamine;6-phenyl-2-N-propan-2-yl-4-N-[2-(trifluoromethyl)-4-pyridinyl]-1,3,5-triazine-2,4-diamine has a molecular weight of 2232.71 g/mol, XLogP of 24.39, 39 rotatable bonds, 14 hydrogen bond donors, and 39 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[(4-anilino-6-phenyl-1,3,5-triazin-2-yl)amino]-2-methylpropan-2-ol;4-N-(2-ethoxy-4-pyridinyl)-6-phenyl-2-N-propan-2-yl-1,3,5-triazine-2,4-diamine;4-N-(3-ethylsulfonylphenyl)-6-phenyl-2-N-propan-2-yl-1,3,5-triazine-2,4-diamine;2-[3-[[4-phenyl-6-(propan-2-ylamino)-1,3,5-triazin-2-yl]amino]phenyl]propan-2-ol;6-phenyl-2-N-propan-2-yl-4-N-(3-propylsulfonylphenyl)-1,3,5-triazine-2,4-diamine;6-phenyl-2-N-propan-2-yl-4-N-[2-(trifluoromethyl)-4-pyridinyl]-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 160570947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).