N-[4-(3-bromo-1,2,4-triazol-1-yl)phenyl]-4-(3-morpholin-4-ylphenyl)pyrimidin-2-amine;N-[4-(3-ethenyl-1,2,4-triazol-1-yl)phenyl]-4-(3-morpholin-4-ylphenyl)pyrimidin-2-amine;N-[4-(3-ethyl-1,2,4-triazol-1-yl)phenyl]-4-(3-morpholin-4-ylphenyl)pyrimidin-2-amine;N-[4-(5-ethyl-1,2,4-triazol-1-yl)phenyl]-4-(3-morpholin-4-ylphenyl)pyrimidin-2-amine;4-(3-morpholin-4-ylphenyl)-N-[4-(3-phenyl-1,2,4-triazol-1-yl)phenyl]pyrimidin-2-amine

C122H118BrN35O5 — CID 157254220

About N-[4-(3-bromo-1,2,4-triazol-1-yl)phenyl]-4-(3-morpholin-4-ylphenyl)pyrimidin-2-amine;N-[4-(3-ethenyl-1,2,4-triazol-1-yl)phenyl]-4-(3-morpholin-4-ylphenyl)pyrimidin-2-amine;N-[4-(3-ethyl-1,2,4-triazol-1-yl)phenyl]-4-(3-morpholin-4-ylphenyl)pyrimidin-2-amine;N-[4-(5-ethyl-1,2,4-triazol-1-yl)phenyl]-4-(3-morpholin-4-ylphenyl)pyrimidin-2-amine;4-(3-morpholin-4-ylphenyl)-N-[4-(3-phenyl-1,2,4-triazol-1-yl)phenyl]pyrimidin-2-amine

N-[4-(3-bromo-1,2,4-triazol-1-yl)phenyl]-4-(3-morpholin-4-ylphenyl)pyrimidin-2-amine;N-[4-(3-ethenyl-1,2,4-triazol-1-yl)phenyl]-4-(3-morpholin-4-ylphenyl)pyrimidin-2-amine;N-[4-(3-ethyl-1,2,4-triazol-1-yl)phenyl]-4-(3-morpholin-4-ylphenyl)pyrimidin-2-amine;N-[4-(5-ethyl-1,2,4-triazol-1-yl)phenyl]-4-(3-morpholin-4-ylphenyl)pyrimidin-2-amine;4-(3-morpholin-4-ylphenyl)-N-[4-(3-phenyl-1,2,4-triazol-1-yl)phenyl]pyrimidin-2-amine (PubChem CID 157254220) has the molecular formula C122H118BrN35O5 and a molecular weight of 2234.43 g/mol. Its IUPAC name is N-[4-(3-bromo-1,2,4-triazol-1-yl)phenyl]-4-(3-morpholin-4-ylphenyl)pyrimidin-2-amine;N-[4-(3-ethenyl-1,2,4-triazol-1-yl)phenyl]-4-(3-morpholin-4-ylphenyl)pyrimidin-2-amine;N-[4-(3-ethyl-1,2,4-triazol-1-yl)phenyl]-4-(3-morpholin-4-ylphenyl)pyrimidin-2-amine;N-[4-(5-ethyl-1,2,4-triazol-1-yl)phenyl]-4-(3-morpholin-4-ylphenyl)pyrimidin-2-amine;4-(3-morpholin-4-ylphenyl)-N-[4-(3-phenyl-1,2,4-triazol-1-yl)phenyl]pyrimidin-2-amine.

Molecular Properties

• Compound Name: N-[4-(3-bromo-1,2,4-triazol-1-yl)phenyl]-4-(3-morpholin-4-ylphenyl)pyrimidin-2-amine;N-[4-(3-ethenyl-1,2,4-triazol-1-yl)phenyl]-4-(3-morpholin-4-ylphenyl)pyrimidin-2-amine;N-[4-(3-ethyl-1,2,4-triazol-1-yl)phenyl]-4-(3-morpholin-4-ylphenyl)pyrimidin-2-amine;N-[4-(5-ethyl-1,2,4-triazol-1-yl)phenyl]-4-(3-morpholin-4-ylphenyl)pyrimidin-2-amine;4-(3-morpholin-4-ylphenyl)-N-[4-(3-phenyl-1,2,4-triazol-1-yl)phenyl]pyrimidin-2-amine
• PubChem CID: 157254220
• Molecular Formula: C122H118BrN35O5
• Molecular Weight: 2234.43 g/mol
• Exact Mass: 2231.92
• IUPAC Name: N-[4-(3-bromo-1,2,4-triazol-1-yl)phenyl]-4-(3-morpholin-4-ylphenyl)pyrimidin-2-amine;N-[4-(3-ethenyl-1,2,4-triazol-1-yl)phenyl]-4-(3-morpholin-4-ylphenyl)pyrimidin-2-amine;N-[4-(3-ethyl-1,2,4-triazol-1-yl)phenyl]-4-(3-morpholin-4-ylphenyl)pyrimidin-2-amine;N-[4-(5-ethyl-1,2,4-triazol-1-yl)phenyl]-4-(3-morpholin-4-ylphenyl)pyrimidin-2-amine;4-(3-morpholin-4-ylphenyl)-N-[4-(3-phenyl-1,2,4-triazol-1-yl)phenyl]pyrimidin-2-amine
• SMILES: Brc1ncn(-c2ccc(Nc3nccc(-c4cccc(N5CCOCC5)c4)n3)cc2)n1.C=Cc1ncn(-c2ccc(Nc3nccc(-c4cccc(N5CCOCC5)c4)n3)cc2)n1.CCc1ncn(-c2ccc(Nc3nccc(-c4cccc(N5CCOCC5)c4)n3)cc2)n1.CCc1ncnn1-c1ccc(Nc2nccc(-c3cccc(N4CCOCC4)c3)n2)cc1.c1ccc(-c2ncn(-c3ccc(Nc4nccc(-c5cccc(N6CCOCC6)c5)n4)cc3)n2)cc1
• InChI: InChI=1S/C28H25N7O.C24H25N7O.C24H23N7O.C24H25N7O.C22H20BrN7O/c1-2-5-21(6-3-1)27-30-20-35(33-27)24-11-9-23(10-12-24)31-28-29-14-13-26(32-28)22-7-4-8-25(19-22)34-15-17-36-18-16-34;2*1-2-23-26-17-31(29-23)20-8-6-19(7-9-20)27-24-25-11-10-22(28-24)18-4-3-5-21(16-18)30-12-14-32-15-13-30;1-2-23-26-17-27-31(23)20-8-6-19(7-9-20)28-24-25-11-10-22(29-24)18-4-3-5-21(16-18)30-12-14-32-15-13-30;23-21-25-15-30(28-21)18-6-4-17(5-7-18)26-22-24-9-8-20(27-22)16-2-1-3-19(14-16)29-10-12-31-13-11-29/h1-14,19-20H,15-18H2,(H,29,31,32);3-11,16-17H,2,12-15H2,1H3,(H,25,27,28);2-11,16-17H,1,12-15H2,(H,25,27,28);3-11,16-17H,2,12-15H2,1H3,(H,25,28,29);1-9,14-15H,10-13H2,(H,24,26,27)
• InChIKey: AWRSEUKEXBROEG-UHFFFAOYSA-N
• XLogP: 20.72
• TPSA: 404.95 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 40
• Rotatable Bonds: 29
• Heavy Atoms: 163
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2234.43
LogP ≤ 5	20.72
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	40

Frequently Asked Questions

What is the IUPAC name of N-[4-(3-bromo-1,2,4-triazol-1-yl)phenyl]-4-(3-morpholin-4-ylphenyl)pyrimidin-2-amine;N-[4-(3-ethenyl-1,2,4-triazol-1-yl)phenyl]-4-(3-morpholin-4-ylphenyl)pyrimidin-2-amine;N-[4-(3-ethyl-1,2,4-triazol-1-yl)phenyl]-4-(3-morpholin-4-ylphenyl)pyrimidin-2-amine;N-[4-(5-ethyl-1,2,4-triazol-1-yl)phenyl]-4-(3-morpholin-4-ylphenyl)pyrimidin-2-amine;4-(3-morpholin-4-ylphenyl)-N-[4-(3-phenyl-1,2,4-triazol-1-yl)phenyl]pyrimidin-2-amine?

The IUPAC name of N-[4-(3-bromo-1,2,4-triazol-1-yl)phenyl]-4-(3-morpholin-4-ylphenyl)pyrimidin-2-amine;N-[4-(3-ethenyl-1,2,4-triazol-1-yl)phenyl]-4-(3-morpholin-4-ylphenyl)pyrimidin-2-amine;N-[4-(3-ethyl-1,2,4-triazol-1-yl)phenyl]-4-(3-morpholin-4-ylphenyl)pyrimidin-2-amine;N-[4-(5-ethyl-1,2,4-triazol-1-yl)phenyl]-4-(3-morpholin-4-ylphenyl)pyrimidin-2-amine;4-(3-morpholin-4-ylphenyl)-N-[4-(3-phenyl-1,2,4-triazol-1-yl)phenyl]pyrimidin-2-amine (CID 157254220) is N-[4-(3-bromo-1,2,4-triazol-1-yl)phenyl]-4-(3-morpholin-4-ylphenyl)pyrimidin-2-amine;N-[4-(3-ethenyl-1,2,4-triazol-1-yl)phenyl]-4-(3-morpholin-4-ylphenyl)pyrimidin-2-amine;N-[4-(3-ethyl-1,2,4-triazol-1-yl)phenyl]-4-(3-morpholin-4-ylphenyl)pyrimidin-2-amine;N-[4-(5-ethyl-1,2,4-triazol-1-yl)phenyl]-4-(3-morpholin-4-ylphenyl)pyrimidin-2-amine;4-(3-morpholin-4-ylphenyl)-N-[4-(3-phenyl-1,2,4-triazol-1-yl)phenyl]pyrimidin-2-amine.

What is the SMILES notation for N-[4-(3-bromo-1,2,4-triazol-1-yl)phenyl]-4-(3-morpholin-4-ylphenyl)pyrimidin-2-amine;N-[4-(3-ethenyl-1,2,4-triazol-1-yl)phenyl]-4-(3-morpholin-4-ylphenyl)pyrimidin-2-amine;N-[4-(3-ethyl-1,2,4-triazol-1-yl)phenyl]-4-(3-morpholin-4-ylphenyl)pyrimidin-2-amine;N-[4-(5-ethyl-1,2,4-triazol-1-yl)phenyl]-4-(3-morpholin-4-ylphenyl)pyrimidin-2-amine;4-(3-morpholin-4-ylphenyl)-N-[4-(3-phenyl-1,2,4-triazol-1-yl)phenyl]pyrimidin-2-amine?

The canonical SMILES for N-[4-(3-bromo-1,2,4-triazol-1-yl)phenyl]-4-(3-morpholin-4-ylphenyl)pyrimidin-2-amine;N-[4-(3-ethenyl-1,2,4-triazol-1-yl)phenyl]-4-(3-morpholin-4-ylphenyl)pyrimidin-2-amine;N-[4-(3-ethyl-1,2,4-triazol-1-yl)phenyl]-4-(3-morpholin-4-ylphenyl)pyrimidin-2-amine;N-[4-(5-ethyl-1,2,4-triazol-1-yl)phenyl]-4-(3-morpholin-4-ylphenyl)pyrimidin-2-amine;4-(3-morpholin-4-ylphenyl)-N-[4-(3-phenyl-1,2,4-triazol-1-yl)phenyl]pyrimidin-2-amine is Brc1ncn(-c2ccc(Nc3nccc(-c4cccc(N5CCOCC5)c4)n3)cc2)n1.C=Cc1ncn(-c2ccc(Nc3nccc(-c4cccc(N5CCOCC5)c4)n3)cc2)n1.CCc1ncn(-c2ccc(Nc3nccc(-c4cccc(N5CCOCC5)c4)n3)cc2)n1.CCc1ncnn1-c1ccc(Nc2nccc(-c3cccc(N4CCOCC4)c3)n2)cc1.c1ccc(-c2ncn(-c3ccc(Nc4nccc(-c5cccc(N6CCOCC6)c5)n4)cc3)n2)cc1.

What is the InChIKey of N-[4-(3-bromo-1,2,4-triazol-1-yl)phenyl]-4-(3-morpholin-4-ylphenyl)pyrimidin-2-amine;N-[4-(3-ethenyl-1,2,4-triazol-1-yl)phenyl]-4-(3-morpholin-4-ylphenyl)pyrimidin-2-amine;N-[4-(3-ethyl-1,2,4-triazol-1-yl)phenyl]-4-(3-morpholin-4-ylphenyl)pyrimidin-2-amine;N-[4-(5-ethyl-1,2,4-triazol-1-yl)phenyl]-4-(3-morpholin-4-ylphenyl)pyrimidin-2-amine;4-(3-morpholin-4-ylphenyl)-N-[4-(3-phenyl-1,2,4-triazol-1-yl)phenyl]pyrimidin-2-amine?

The InChIKey is AWRSEUKEXBROEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H25N7O.C24H25N7O.C24H23N7O.C24H25N7O.C22H20BrN7O/c1-2-5-21(6-3-1)27-30-20-35(33-27)24-11-9-23(10-12-24)31-28-29-14-13-26(32-28)22-7-4-8-25(19-22)34-15-17-36-18-16-34;2*1-2-23-26-17-31(29-23)20-8-6-19(7-9-20)27-24-25-11-10-22(28-24)18-4-3-5-21(16-18)30-12-14-32-15-13-30;1-2-23-26-17-27-31(23)20-8-6-19(7-9-20)28-24-25-11-10-22(29-24)18-4-3-5-21(16-18)30-12-14-32-15-13-30;23-21-25-15-30(28-21)18-6-4-17(5-7-18)26-22-24-9-8-20(27-22)16-2-1-3-19(14-16)29-10-12-31-13-11-29/h1-14,19-20H,15-18H2,(H,29,31,32);3-11,16-17H,2,12-15H2,1H3,(H,25,27,28);2-11,16-17H,1,12-15H2,(H,25,27,28);3-11,16-17H,2,12-15H2,1H3,(H,25,28,29);1-9,14-15H,10-13H2,(H,24,26,27).

What are the key properties of N-[4-(3-bromo-1,2,4-triazol-1-yl)phenyl]-4-(3-morpholin-4-ylphenyl)pyrimidin-2-amine;N-[4-(3-ethenyl-1,2,4-triazol-1-yl)phenyl]-4-(3-morpholin-4-ylphenyl)pyrimidin-2-amine;N-[4-(3-ethyl-1,2,4-triazol-1-yl)phenyl]-4-(3-morpholin-4-ylphenyl)pyrimidin-2-amine;N-[4-(5-ethyl-1,2,4-triazol-1-yl)phenyl]-4-(3-morpholin-4-ylphenyl)pyrimidin-2-amine;4-(3-morpholin-4-ylphenyl)-N-[4-(3-phenyl-1,2,4-triazol-1-yl)phenyl]pyrimidin-2-amine?

N-[4-(3-bromo-1,2,4-triazol-1-yl)phenyl]-4-(3-morpholin-4-ylphenyl)pyrimidin-2-amine;N-[4-(3-ethenyl-1,2,4-triazol-1-yl)phenyl]-4-(3-morpholin-4-ylphenyl)pyrimidin-2-amine;N-[4-(3-ethyl-1,2,4-triazol-1-yl)phenyl]-4-(3-morpholin-4-ylphenyl)pyrimidin-2-amine;N-[4-(5-ethyl-1,2,4-triazol-1-yl)phenyl]-4-(3-morpholin-4-ylphenyl)pyrimidin-2-amine;4-(3-morpholin-4-ylphenyl)-N-[4-(3-phenyl-1,2,4-triazol-1-yl)phenyl]pyrimidin-2-amine has a molecular weight of 2234.43 g/mol, XLogP of 20.72, 29 rotatable bonds, 5 hydrogen bond donors, and 40 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-(3-bromo-1,2,4-triazol-1-yl)phenyl]-4-(3-morpholin-4-ylphenyl)pyrimidin-2-amine;N-[4-(3-ethenyl-1,2,4-triazol-1-yl)phenyl]-4-(3-morpholin-4-ylphenyl)pyrimidin-2-amine;N-[4-(3-ethyl-1,2,4-triazol-1-yl)phenyl]-4-(3-morpholin-4-ylphenyl)pyrimidin-2-amine;N-[4-(5-ethyl-1,2,4-triazol-1-yl)phenyl]-4-(3-morpholin-4-ylphenyl)pyrimidin-2-amine;4-(3-morpholin-4-ylphenyl)-N-[4-(3-phenyl-1,2,4-triazol-1-yl)phenyl]pyrimidin-2-amine is sourced from PubChem (CID 157254220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).