N-[4-(3,5-dimethyl-1,2,4-triazol-1-yl)phenyl]-4-(3-morpholin-4-ylphenyl)pyrimidin-2-amine;N-[4-(3,5-dimethyl-1,2,4-triazol-1-yl)phenyl]-4-[3-morpholin-4-yl-5-(trifluoromethyl)phenyl]pyrimidin-2-amine;4-(3-fluoro-5-morpholin-4-ylphenyl)-N-[4-(1H-1,2,4-triazol-5-yl)phenyl]pyrimidin-2-amine;3-(3-hydroxypiperidin-1-yl)-5-[2-[4-(3-pyridin-2-yl-1,2,4-triazol-1-yl)anilino]pyrimidin-4-yl]benzonitrile;4-[3-morpholin-4-yl-5-(trifluoromethyl)phenyl]-N-[4-[3-(trifluoromethyl)-1,2,4-triazol-1-yl]phenyl]pyrimidin-2-amine

C124H113F10N37O5 — CID 157305917

About N-[4-(3,5-dimethyl-1,2,4-triazol-1-yl)phenyl]-4-(3-morpholin-4-ylphenyl)pyrimidin-2-amine;N-[4-(3,5-dimethyl-1,2,4-triazol-1-yl)phenyl]-4-[3-morpholin-4-yl-5-(trifluoromethyl)phenyl]pyrimidin-2-amine;4-(3-fluoro-5-morpholin-4-ylphenyl)-N-[4-(1H-1,2,4-triazol-5-yl)phenyl]pyrimidin-2-amine;3-(3-hydroxypiperidin-1-yl)-5-[2-[4-(3-pyridin-2-yl-1,2,4-triazol-1-yl)anilino]pyrimidin-4-yl]benzonitrile;4-[3-morpholin-4-yl-5-(trifluoromethyl)phenyl]-N-[4-[3-(trifluoromethyl)-1,2,4-triazol-1-yl]phenyl]pyrimidin-2-amine

N-[4-(3,5-dimethyl-1,2,4-triazol-1-yl)phenyl]-4-(3-morpholin-4-ylphenyl)pyrimidin-2-amine;N-[4-(3,5-dimethyl-1,2,4-triazol-1-yl)phenyl]-4-[3-morpholin-4-yl-5-(trifluoromethyl)phenyl]pyrimidin-2-amine;4-(3-fluoro-5-morpholin-4-ylphenyl)-N-[4-(1H-1,2,4-triazol-5-yl)phenyl]pyrimidin-2-amine;3-(3-hydroxypiperidin-1-yl)-5-[2-[4-(3-pyridin-2-yl-1,2,4-triazol-1-yl)anilino]pyrimidin-4-yl]benzonitrile;4-[3-morpholin-4-yl-5-(trifluoromethyl)phenyl]-N-[4-[3-(trifluoromethyl)-1,2,4-triazol-1-yl]phenyl]pyrimidin-2-amine (PubChem CID 157305917) has the molecular formula C124H113F10N37O5 and a molecular weight of 2391.50 g/mol. Its IUPAC name is N-[4-(3,5-dimethyl-1,2,4-triazol-1-yl)phenyl]-4-(3-morpholin-4-ylphenyl)pyrimidin-2-amine;N-[4-(3,5-dimethyl-1,2,4-triazol-1-yl)phenyl]-4-[3-morpholin-4-yl-5-(trifluoromethyl)phenyl]pyrimidin-2-amine;4-(3-fluoro-5-morpholin-4-ylphenyl)-N-[4-(1H-1,2,4-triazol-5-yl)phenyl]pyrimidin-2-amine;3-(3-hydroxypiperidin-1-yl)-5-[2-[4-(3-pyridin-2-yl-1,2,4-triazol-1-yl)anilino]pyrimidin-4-yl]benzonitrile;4-[3-morpholin-4-yl-5-(trifluoromethyl)phenyl]-N-[4-[3-(trifluoromethyl)-1,2,4-triazol-1-yl]phenyl]pyrimidin-2-amine.

Molecular Properties

• Compound Name: N-[4-(3,5-dimethyl-1,2,4-triazol-1-yl)phenyl]-4-(3-morpholin-4-ylphenyl)pyrimidin-2-amine;N-[4-(3,5-dimethyl-1,2,4-triazol-1-yl)phenyl]-4-[3-morpholin-4-yl-5-(trifluoromethyl)phenyl]pyrimidin-2-amine;4-(3-fluoro-5-morpholin-4-ylphenyl)-N-[4-(1H-1,2,4-triazol-5-yl)phenyl]pyrimidin-2-amine;3-(3-hydroxypiperidin-1-yl)-5-[2-[4-(3-pyridin-2-yl-1,2,4-triazol-1-yl)anilino]pyrimidin-4-yl]benzonitrile;4-[3-morpholin-4-yl-5-(trifluoromethyl)phenyl]-N-[4-[3-(trifluoromethyl)-1,2,4-triazol-1-yl]phenyl]pyrimidin-2-amine
• PubChem CID: 157305917
• Molecular Formula: C124H113F10N37O5
• Molecular Weight: 2391.50 g/mol
• Exact Mass: 2389.96
• IUPAC Name: N-[4-(3,5-dimethyl-1,2,4-triazol-1-yl)phenyl]-4-(3-morpholin-4-ylphenyl)pyrimidin-2-amine;N-[4-(3,5-dimethyl-1,2,4-triazol-1-yl)phenyl]-4-[3-morpholin-4-yl-5-(trifluoromethyl)phenyl]pyrimidin-2-amine;4-(3-fluoro-5-morpholin-4-ylphenyl)-N-[4-(1H-1,2,4-triazol-5-yl)phenyl]pyrimidin-2-amine;3-(3-hydroxypiperidin-1-yl)-5-[2-[4-(3-pyridin-2-yl-1,2,4-triazol-1-yl)anilino]pyrimidin-4-yl]benzonitrile;4-[3-morpholin-4-yl-5-(trifluoromethyl)phenyl]-N-[4-[3-(trifluoromethyl)-1,2,4-triazol-1-yl]phenyl]pyrimidin-2-amine
• SMILES: Cc1nc(C)n(-c2ccc(Nc3nccc(-c4cc(N5CCOCC5)cc(C(F)(F)F)c4)n3)cc2)n1.Cc1nc(C)n(-c2ccc(Nc3nccc(-c4cccc(N5CCOCC5)c4)n3)cc2)n1.FC(F)(F)c1cc(-c2ccnc(Nc3ccc(-n4cnc(C(F)(F)F)n4)cc3)n2)cc(N2CCOCC2)c1.Fc1cc(-c2ccnc(Nc3ccc(-c4ncn[nH]4)cc3)n2)cc(N2CCOCC2)c1.N#Cc1cc(-c2ccnc(Nc3ccc(-n4cnc(-c5ccccn5)n4)cc3)n2)cc(N2CCCC(O)C2)c1
• InChI: InChI=1S/C29H25N9O.C25H24F3N7O.C24H19F6N7O.C24H25N7O.C22H20FN7O/c30-17-20-14-21(16-24(15-20)37-13-3-4-25(39)18-37)26-10-12-32-29(35-26)34-22-6-8-23(9-7-22)38-19-33-28(36-38)27-5-1-2-11-31-27;1-16-30-17(2)35(33-16)21-5-3-20(4-6-21)31-24-29-8-7-23(32-24)18-13-19(25(26,27)28)15-22(14-18)34-9-11-36-12-10-34;25-23(26,27)16-11-15(12-19(13-16)36-7-9-38-10-8-36)20-5-6-31-22(34-20)33-17-1-3-18(4-2-17)37-14-32-21(35-37)24(28,29)30;1-17-26-18(2)31(29-17)21-8-6-20(7-9-21)27-24-25-11-10-23(28-24)19-4-3-5-22(16-19)30-12-14-32-15-13-30;23-17-11-16(12-19(13-17)30-7-9-31-10-8-30)20-5-6-24-22(28-20)27-18-3-1-15(2-4-18)21-25-14-26-29-21/h1-2,5-12,14-16,19,25,39H,3-4,13,18H2,(H,32,34,35);3-8,13-15H,9-12H2,1-2H3,(H,29,31,32);1-6,11-14H,7-10H2,(H,31,33,34);3-11,16H,12-15H2,1-2H3,(H,25,27,28);1-6,11-14H,7-10H2,(H,24,27,28)(H,25,26,29)
• InChIKey: BCLUAFIJUUJDMY-UHFFFAOYSA-N
• XLogP: 22.21
• TPSA: 463.49 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 41
• Rotatable Bonds: 26
• Heavy Atoms: 176
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2391.50
LogP ≤ 5	22.21
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	41

Frequently Asked Questions

What is the IUPAC name of N-[4-(3,5-dimethyl-1,2,4-triazol-1-yl)phenyl]-4-(3-morpholin-4-ylphenyl)pyrimidin-2-amine;N-[4-(3,5-dimethyl-1,2,4-triazol-1-yl)phenyl]-4-[3-morpholin-4-yl-5-(trifluoromethyl)phenyl]pyrimidin-2-amine;4-(3-fluoro-5-morpholin-4-ylphenyl)-N-[4-(1H-1,2,4-triazol-5-yl)phenyl]pyrimidin-2-amine;3-(3-hydroxypiperidin-1-yl)-5-[2-[4-(3-pyridin-2-yl-1,2,4-triazol-1-yl)anilino]pyrimidin-4-yl]benzonitrile;4-[3-morpholin-4-yl-5-(trifluoromethyl)phenyl]-N-[4-[3-(trifluoromethyl)-1,2,4-triazol-1-yl]phenyl]pyrimidin-2-amine?

The IUPAC name of N-[4-(3,5-dimethyl-1,2,4-triazol-1-yl)phenyl]-4-(3-morpholin-4-ylphenyl)pyrimidin-2-amine;N-[4-(3,5-dimethyl-1,2,4-triazol-1-yl)phenyl]-4-[3-morpholin-4-yl-5-(trifluoromethyl)phenyl]pyrimidin-2-amine;4-(3-fluoro-5-morpholin-4-ylphenyl)-N-[4-(1H-1,2,4-triazol-5-yl)phenyl]pyrimidin-2-amine;3-(3-hydroxypiperidin-1-yl)-5-[2-[4-(3-pyridin-2-yl-1,2,4-triazol-1-yl)anilino]pyrimidin-4-yl]benzonitrile;4-[3-morpholin-4-yl-5-(trifluoromethyl)phenyl]-N-[4-[3-(trifluoromethyl)-1,2,4-triazol-1-yl]phenyl]pyrimidin-2-amine (CID 157305917) is N-[4-(3,5-dimethyl-1,2,4-triazol-1-yl)phenyl]-4-(3-morpholin-4-ylphenyl)pyrimidin-2-amine;N-[4-(3,5-dimethyl-1,2,4-triazol-1-yl)phenyl]-4-[3-morpholin-4-yl-5-(trifluoromethyl)phenyl]pyrimidin-2-amine;4-(3-fluoro-5-morpholin-4-ylphenyl)-N-[4-(1H-1,2,4-triazol-5-yl)phenyl]pyrimidin-2-amine;3-(3-hydroxypiperidin-1-yl)-5-[2-[4-(3-pyridin-2-yl-1,2,4-triazol-1-yl)anilino]pyrimidin-4-yl]benzonitrile;4-[3-morpholin-4-yl-5-(trifluoromethyl)phenyl]-N-[4-[3-(trifluoromethyl)-1,2,4-triazol-1-yl]phenyl]pyrimidin-2-amine.

What is the SMILES notation for N-[4-(3,5-dimethyl-1,2,4-triazol-1-yl)phenyl]-4-(3-morpholin-4-ylphenyl)pyrimidin-2-amine;N-[4-(3,5-dimethyl-1,2,4-triazol-1-yl)phenyl]-4-[3-morpholin-4-yl-5-(trifluoromethyl)phenyl]pyrimidin-2-amine;4-(3-fluoro-5-morpholin-4-ylphenyl)-N-[4-(1H-1,2,4-triazol-5-yl)phenyl]pyrimidin-2-amine;3-(3-hydroxypiperidin-1-yl)-5-[2-[4-(3-pyridin-2-yl-1,2,4-triazol-1-yl)anilino]pyrimidin-4-yl]benzonitrile;4-[3-morpholin-4-yl-5-(trifluoromethyl)phenyl]-N-[4-[3-(trifluoromethyl)-1,2,4-triazol-1-yl]phenyl]pyrimidin-2-amine?

The canonical SMILES for N-[4-(3,5-dimethyl-1,2,4-triazol-1-yl)phenyl]-4-(3-morpholin-4-ylphenyl)pyrimidin-2-amine;N-[4-(3,5-dimethyl-1,2,4-triazol-1-yl)phenyl]-4-[3-morpholin-4-yl-5-(trifluoromethyl)phenyl]pyrimidin-2-amine;4-(3-fluoro-5-morpholin-4-ylphenyl)-N-[4-(1H-1,2,4-triazol-5-yl)phenyl]pyrimidin-2-amine;3-(3-hydroxypiperidin-1-yl)-5-[2-[4-(3-pyridin-2-yl-1,2,4-triazol-1-yl)anilino]pyrimidin-4-yl]benzonitrile;4-[3-morpholin-4-yl-5-(trifluoromethyl)phenyl]-N-[4-[3-(trifluoromethyl)-1,2,4-triazol-1-yl]phenyl]pyrimidin-2-amine is Cc1nc(C)n(-c2ccc(Nc3nccc(-c4cc(N5CCOCC5)cc(C(F)(F)F)c4)n3)cc2)n1.Cc1nc(C)n(-c2ccc(Nc3nccc(-c4cccc(N5CCOCC5)c4)n3)cc2)n1.FC(F)(F)c1cc(-c2ccnc(Nc3ccc(-n4cnc(C(F)(F)F)n4)cc3)n2)cc(N2CCOCC2)c1.Fc1cc(-c2ccnc(Nc3ccc(-c4ncn[nH]4)cc3)n2)cc(N2CCOCC2)c1.N#Cc1cc(-c2ccnc(Nc3ccc(-n4cnc(-c5ccccn5)n4)cc3)n2)cc(N2CCCC(O)C2)c1.

What is the InChIKey of N-[4-(3,5-dimethyl-1,2,4-triazol-1-yl)phenyl]-4-(3-morpholin-4-ylphenyl)pyrimidin-2-amine;N-[4-(3,5-dimethyl-1,2,4-triazol-1-yl)phenyl]-4-[3-morpholin-4-yl-5-(trifluoromethyl)phenyl]pyrimidin-2-amine;4-(3-fluoro-5-morpholin-4-ylphenyl)-N-[4-(1H-1,2,4-triazol-5-yl)phenyl]pyrimidin-2-amine;3-(3-hydroxypiperidin-1-yl)-5-[2-[4-(3-pyridin-2-yl-1,2,4-triazol-1-yl)anilino]pyrimidin-4-yl]benzonitrile;4-[3-morpholin-4-yl-5-(trifluoromethyl)phenyl]-N-[4-[3-(trifluoromethyl)-1,2,4-triazol-1-yl]phenyl]pyrimidin-2-amine?

The InChIKey is BCLUAFIJUUJDMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H25N9O.C25H24F3N7O.C24H19F6N7O.C24H25N7O.C22H20FN7O/c30-17-20-14-21(16-24(15-20)37-13-3-4-25(39)18-37)26-10-12-32-29(35-26)34-22-6-8-23(9-7-22)38-19-33-28(36-38)27-5-1-2-11-31-27;1-16-30-17(2)35(33-16)21-5-3-20(4-6-21)31-24-29-8-7-23(32-24)18-13-19(25(26,27)28)15-22(14-18)34-9-11-36-12-10-34;25-23(26,27)16-11-15(12-19(13-16)36-7-9-38-10-8-36)20-5-6-31-22(34-20)33-17-1-3-18(4-2-17)37-14-32-21(35-37)24(28,29)30;1-17-26-18(2)31(29-17)21-8-6-20(7-9-21)27-24-25-11-10-23(28-24)19-4-3-5-22(16-19)30-12-14-32-15-13-30;23-17-11-16(12-19(13-17)30-7-9-31-10-8-30)20-5-6-24-22(28-20)27-18-3-1-15(2-4-18)21-25-14-26-29-21/h1-2,5-12,14-16,19,25,39H,3-4,13,18H2,(H,32,34,35);3-8,13-15H,9-12H2,1-2H3,(H,29,31,32);1-6,11-14H,7-10H2,(H,31,33,34);3-11,16H,12-15H2,1-2H3,(H,25,27,28);1-6,11-14H,7-10H2,(H,24,27,28)(H,25,26,29).

What are the key properties of N-[4-(3,5-dimethyl-1,2,4-triazol-1-yl)phenyl]-4-(3-morpholin-4-ylphenyl)pyrimidin-2-amine;N-[4-(3,5-dimethyl-1,2,4-triazol-1-yl)phenyl]-4-[3-morpholin-4-yl-5-(trifluoromethyl)phenyl]pyrimidin-2-amine;4-(3-fluoro-5-morpholin-4-ylphenyl)-N-[4-(1H-1,2,4-triazol-5-yl)phenyl]pyrimidin-2-amine;3-(3-hydroxypiperidin-1-yl)-5-[2-[4-(3-pyridin-2-yl-1,2,4-triazol-1-yl)anilino]pyrimidin-4-yl]benzonitrile;4-[3-morpholin-4-yl-5-(trifluoromethyl)phenyl]-N-[4-[3-(trifluoromethyl)-1,2,4-triazol-1-yl]phenyl]pyrimidin-2-amine?

N-[4-(3,5-dimethyl-1,2,4-triazol-1-yl)phenyl]-4-(3-morpholin-4-ylphenyl)pyrimidin-2-amine;N-[4-(3,5-dimethyl-1,2,4-triazol-1-yl)phenyl]-4-[3-morpholin-4-yl-5-(trifluoromethyl)phenyl]pyrimidin-2-amine;4-(3-fluoro-5-morpholin-4-ylphenyl)-N-[4-(1H-1,2,4-triazol-5-yl)phenyl]pyrimidin-2-amine;3-(3-hydroxypiperidin-1-yl)-5-[2-[4-(3-pyridin-2-yl-1,2,4-triazol-1-yl)anilino]pyrimidin-4-yl]benzonitrile;4-[3-morpholin-4-yl-5-(trifluoromethyl)phenyl]-N-[4-[3-(trifluoromethyl)-1,2,4-triazol-1-yl]phenyl]pyrimidin-2-amine has a molecular weight of 2391.50 g/mol, XLogP of 22.21, 26 rotatable bonds, 7 hydrogen bond donors, and 41 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-(3,5-dimethyl-1,2,4-triazol-1-yl)phenyl]-4-(3-morpholin-4-ylphenyl)pyrimidin-2-amine;N-[4-(3,5-dimethyl-1,2,4-triazol-1-yl)phenyl]-4-[3-morpholin-4-yl-5-(trifluoromethyl)phenyl]pyrimidin-2-amine;4-(3-fluoro-5-morpholin-4-ylphenyl)-N-[4-(1H-1,2,4-triazol-5-yl)phenyl]pyrimidin-2-amine;3-(3-hydroxypiperidin-1-yl)-5-[2-[4-(3-pyridin-2-yl-1,2,4-triazol-1-yl)anilino]pyrimidin-4-yl]benzonitrile;4-[3-morpholin-4-yl-5-(trifluoromethyl)phenyl]-N-[4-[3-(trifluoromethyl)-1,2,4-triazol-1-yl]phenyl]pyrimidin-2-amine is sourced from PubChem (CID 157305917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).