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

C119H113N37O4 — CID 159909139

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

2-(4-hydroxypiperidin-1-yl)-5-[2-[4-(3-pyridin-4-yl-1,2,4-triazol-1-yl)anilino]pyrimidin-4-yl]benzonitrile;N-[4-(4-methyl-1,2,4-triazol-3-yl)phenyl]-4-(3-morpholin-4-ylphenyl)pyrimidin-2-amine;4-(3-morpholin-4-ylphenyl)-N-[4-(triazol-1-yl)phenyl]pyrimidin-2-amine;4-(3-morpholin-4-ylphenyl)-N-[4-(1,2,4-triazol-1-yl)phenyl]pyrimidin-2-amine;4-(3-piperidin-1-ylphenyl)-N-[4-(triazol-1-yl)phenyl]pyrimidin-2-amine (PubChem CID 159909139) has the molecular formula C119H113N37O4 and a molecular weight of 2125.47 g/mol. Its IUPAC name is 2-(4-hydroxypiperidin-1-yl)-5-[2-[4-(3-pyridin-4-yl-1,2,4-triazol-1-yl)anilino]pyrimidin-4-yl]benzonitrile;N-[4-(4-methyl-1,2,4-triazol-3-yl)phenyl]-4-(3-morpholin-4-ylphenyl)pyrimidin-2-amine;4-(3-morpholin-4-ylphenyl)-N-[4-(triazol-1-yl)phenyl]pyrimidin-2-amine;4-(3-morpholin-4-ylphenyl)-N-[4-(1,2,4-triazol-1-yl)phenyl]pyrimidin-2-amine;4-(3-piperidin-1-ylphenyl)-N-[4-(triazol-1-yl)phenyl]pyrimidin-2-amine.

Molecular Properties

• Compound Name: 2-(4-hydroxypiperidin-1-yl)-5-[2-[4-(3-pyridin-4-yl-1,2,4-triazol-1-yl)anilino]pyrimidin-4-yl]benzonitrile;N-[4-(4-methyl-1,2,4-triazol-3-yl)phenyl]-4-(3-morpholin-4-ylphenyl)pyrimidin-2-amine;4-(3-morpholin-4-ylphenyl)-N-[4-(triazol-1-yl)phenyl]pyrimidin-2-amine;4-(3-morpholin-4-ylphenyl)-N-[4-(1,2,4-triazol-1-yl)phenyl]pyrimidin-2-amine;4-(3-piperidin-1-ylphenyl)-N-[4-(triazol-1-yl)phenyl]pyrimidin-2-amine
• PubChem CID: 159909139
• Molecular Formula: C119H113N37O4
• Molecular Weight: 2125.47 g/mol
• Exact Mass: 2123.98
• IUPAC Name: 2-(4-hydroxypiperidin-1-yl)-5-[2-[4-(3-pyridin-4-yl-1,2,4-triazol-1-yl)anilino]pyrimidin-4-yl]benzonitrile;N-[4-(4-methyl-1,2,4-triazol-3-yl)phenyl]-4-(3-morpholin-4-ylphenyl)pyrimidin-2-amine;4-(3-morpholin-4-ylphenyl)-N-[4-(triazol-1-yl)phenyl]pyrimidin-2-amine;4-(3-morpholin-4-ylphenyl)-N-[4-(1,2,4-triazol-1-yl)phenyl]pyrimidin-2-amine;4-(3-piperidin-1-ylphenyl)-N-[4-(triazol-1-yl)phenyl]pyrimidin-2-amine
• SMILES: Cn1cnnc1-c1ccc(Nc2nccc(-c3cccc(N4CCOCC4)c3)n2)cc1.N#Cc1cc(-c2ccnc(Nc3ccc(-n4cnc(-c5ccncc5)n4)cc3)n2)ccc1N1CCC(O)CC1.c1cc(-c2ccnc(Nc3ccc(-n4ccnn4)cc3)n2)cc(N2CCCCC2)c1.c1cc(-c2ccnc(Nc3ccc(-n4ccnn4)cc3)n2)cc(N2CCOCC2)c1.c1cc(-c2ccnc(Nc3ccc(-n4cncn4)cc3)n2)cc(N2CCOCC2)c1
• InChI: InChI=1S/C29H25N9O.C23H23N7O.C23H23N7.2C22H21N7O/c30-18-22-17-21(1-6-27(22)37-15-10-25(39)11-16-37)26-9-14-32-29(35-26)34-23-2-4-24(5-3-23)38-19-33-28(36-38)20-7-12-31-13-8-20;1-29-16-25-28-22(29)17-5-7-19(8-6-17)26-23-24-10-9-21(27-23)18-3-2-4-20(15-18)30-11-13-31-14-12-30;1-2-14-29(15-3-1)21-6-4-5-18(17-21)22-11-12-24-23(27-22)26-19-7-9-20(10-8-19)30-16-13-25-28-30;1-2-17(14-20(3-1)28-10-12-30-13-11-28)21-8-9-24-22(27-21)26-18-4-6-19(7-5-18)29-16-23-15-25-29;1-2-17(16-20(3-1)28-12-14-30-15-13-28)21-8-9-23-22(26-21)25-18-4-6-19(7-5-18)29-11-10-24-27-29/h1-9,12-14,17,19,25,39H,10-11,15-16H2,(H,32,34,35);2-10,15-16H,11-14H2,1H3,(H,24,26,27);4-13,16-17H,1-3,14-15H2,(H,24,26,27);1-9,14-16H,10-13H2,(H,24,26,27);1-11,16H,12-15H2,(H,23,25,26)
• InChIKey: NWYMXQXRLOVYIW-UHFFFAOYSA-N
• XLogP: 18.95
• TPSA: 443.40 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 41
• Rotatable Bonds: 26
• Heavy Atoms: 160
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2125.47
LogP ≤ 5	18.95
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	41

Frequently Asked Questions

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

The IUPAC name of 2-(4-hydroxypiperidin-1-yl)-5-[2-[4-(3-pyridin-4-yl-1,2,4-triazol-1-yl)anilino]pyrimidin-4-yl]benzonitrile;N-[4-(4-methyl-1,2,4-triazol-3-yl)phenyl]-4-(3-morpholin-4-ylphenyl)pyrimidin-2-amine;4-(3-morpholin-4-ylphenyl)-N-[4-(triazol-1-yl)phenyl]pyrimidin-2-amine;4-(3-morpholin-4-ylphenyl)-N-[4-(1,2,4-triazol-1-yl)phenyl]pyrimidin-2-amine;4-(3-piperidin-1-ylphenyl)-N-[4-(triazol-1-yl)phenyl]pyrimidin-2-amine (CID 159909139) is 2-(4-hydroxypiperidin-1-yl)-5-[2-[4-(3-pyridin-4-yl-1,2,4-triazol-1-yl)anilino]pyrimidin-4-yl]benzonitrile;N-[4-(4-methyl-1,2,4-triazol-3-yl)phenyl]-4-(3-morpholin-4-ylphenyl)pyrimidin-2-amine;4-(3-morpholin-4-ylphenyl)-N-[4-(triazol-1-yl)phenyl]pyrimidin-2-amine;4-(3-morpholin-4-ylphenyl)-N-[4-(1,2,4-triazol-1-yl)phenyl]pyrimidin-2-amine;4-(3-piperidin-1-ylphenyl)-N-[4-(triazol-1-yl)phenyl]pyrimidin-2-amine.

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

The canonical SMILES for 2-(4-hydroxypiperidin-1-yl)-5-[2-[4-(3-pyridin-4-yl-1,2,4-triazol-1-yl)anilino]pyrimidin-4-yl]benzonitrile;N-[4-(4-methyl-1,2,4-triazol-3-yl)phenyl]-4-(3-morpholin-4-ylphenyl)pyrimidin-2-amine;4-(3-morpholin-4-ylphenyl)-N-[4-(triazol-1-yl)phenyl]pyrimidin-2-amine;4-(3-morpholin-4-ylphenyl)-N-[4-(1,2,4-triazol-1-yl)phenyl]pyrimidin-2-amine;4-(3-piperidin-1-ylphenyl)-N-[4-(triazol-1-yl)phenyl]pyrimidin-2-amine is Cn1cnnc1-c1ccc(Nc2nccc(-c3cccc(N4CCOCC4)c3)n2)cc1.N#Cc1cc(-c2ccnc(Nc3ccc(-n4cnc(-c5ccncc5)n4)cc3)n2)ccc1N1CCC(O)CC1.c1cc(-c2ccnc(Nc3ccc(-n4ccnn4)cc3)n2)cc(N2CCCCC2)c1.c1cc(-c2ccnc(Nc3ccc(-n4ccnn4)cc3)n2)cc(N2CCOCC2)c1.c1cc(-c2ccnc(Nc3ccc(-n4cncn4)cc3)n2)cc(N2CCOCC2)c1.

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

The InChIKey is NWYMXQXRLOVYIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H25N9O.C23H23N7O.C23H23N7.2C22H21N7O/c30-18-22-17-21(1-6-27(22)37-15-10-25(39)11-16-37)26-9-14-32-29(35-26)34-23-2-4-24(5-3-23)38-19-33-28(36-38)20-7-12-31-13-8-20;1-29-16-25-28-22(29)17-5-7-19(8-6-17)26-23-24-10-9-21(27-23)18-3-2-4-20(15-18)30-11-13-31-14-12-30;1-2-14-29(15-3-1)21-6-4-5-18(17-21)22-11-12-24-23(27-22)26-19-7-9-20(10-8-19)30-16-13-25-28-30;1-2-17(14-20(3-1)28-10-12-30-13-11-28)21-8-9-24-22(27-21)26-18-4-6-19(7-5-18)29-16-23-15-25-29;1-2-17(16-20(3-1)28-12-14-30-15-13-28)21-8-9-23-22(26-21)25-18-4-6-19(7-5-18)29-11-10-24-27-29/h1-9,12-14,17,19,25,39H,10-11,15-16H2,(H,32,34,35);2-10,15-16H,11-14H2,1H3,(H,24,26,27);4-13,16-17H,1-3,14-15H2,(H,24,26,27);1-9,14-16H,10-13H2,(H,24,26,27);1-11,16H,12-15H2,(H,23,25,26).

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

2-(4-hydroxypiperidin-1-yl)-5-[2-[4-(3-pyridin-4-yl-1,2,4-triazol-1-yl)anilino]pyrimidin-4-yl]benzonitrile;N-[4-(4-methyl-1,2,4-triazol-3-yl)phenyl]-4-(3-morpholin-4-ylphenyl)pyrimidin-2-amine;4-(3-morpholin-4-ylphenyl)-N-[4-(triazol-1-yl)phenyl]pyrimidin-2-amine;4-(3-morpholin-4-ylphenyl)-N-[4-(1,2,4-triazol-1-yl)phenyl]pyrimidin-2-amine;4-(3-piperidin-1-ylphenyl)-N-[4-(triazol-1-yl)phenyl]pyrimidin-2-amine has a molecular weight of 2125.47 g/mol, XLogP of 18.95, 26 rotatable bonds, 6 hydrogen bond donors, and 41 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(4-hydroxypiperidin-1-yl)-5-[2-[4-(3-pyridin-4-yl-1,2,4-triazol-1-yl)anilino]pyrimidin-4-yl]benzonitrile;N-[4-(4-methyl-1,2,4-triazol-3-yl)phenyl]-4-(3-morpholin-4-ylphenyl)pyrimidin-2-amine;4-(3-morpholin-4-ylphenyl)-N-[4-(triazol-1-yl)phenyl]pyrimidin-2-amine;4-(3-morpholin-4-ylphenyl)-N-[4-(1,2,4-triazol-1-yl)phenyl]pyrimidin-2-amine;4-(3-piperidin-1-ylphenyl)-N-[4-(triazol-1-yl)phenyl]pyrimidin-2-amine is sourced from PubChem (CID 159909139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).