N-[4-(3-bromo-1,2,4-triazol-1-yl)phenyl]-4-(3-fluoro-5-morpholin-4-ylphenyl)pyrimidin-2-amine;4-(3-fluoro-5-morpholin-4-ylphenyl)-N-[4-[3-(4-methylpiperazin-1-yl)-1,2,4-triazol-1-yl]phenyl]pyrimidin-2-amine;4-(3-fluoro-5-morpholin-4-ylphenyl)-N-[4-(3-morpholin-4-yl-1,2,4-triazol-1-yl)phenyl]pyrimidin-2-amine;4-(3-fluoro-5-morpholin-4-ylphenyl)-N-[4-(3-pyridin-4-yl-1,2,4-triazol-1-yl)phenyl]pyrimidin-2-amine;1-[1-[4-[[4-(3-fluoro-5-morpholin-4-ylphenyl)pyrimidin-2-yl]amino]phenyl]-1,2,4-triazol-3-yl]piperidin-4-ol

C129H128BrF5N40O7 — CID 160730557

About N-[4-(3-bromo-1,2,4-triazol-1-yl)phenyl]-4-(3-fluoro-5-morpholin-4-ylphenyl)pyrimidin-2-amine;4-(3-fluoro-5-morpholin-4-ylphenyl)-N-[4-[3-(4-methylpiperazin-1-yl)-1,2,4-triazol-1-yl]phenyl]pyrimidin-2-amine;4-(3-fluoro-5-morpholin-4-ylphenyl)-N-[4-(3-morpholin-4-yl-1,2,4-triazol-1-yl)phenyl]pyrimidin-2-amine;4-(3-fluoro-5-morpholin-4-ylphenyl)-N-[4-(3-pyridin-4-yl-1,2,4-triazol-1-yl)phenyl]pyrimidin-2-amine;1-[1-[4-[[4-(3-fluoro-5-morpholin-4-ylphenyl)pyrimidin-2-yl]amino]phenyl]-1,2,4-triazol-3-yl]piperidin-4-ol

N-[4-(3-bromo-1,2,4-triazol-1-yl)phenyl]-4-(3-fluoro-5-morpholin-4-ylphenyl)pyrimidin-2-amine;4-(3-fluoro-5-morpholin-4-ylphenyl)-N-[4-[3-(4-methylpiperazin-1-yl)-1,2,4-triazol-1-yl]phenyl]pyrimidin-2-amine;4-(3-fluoro-5-morpholin-4-ylphenyl)-N-[4-(3-morpholin-4-yl-1,2,4-triazol-1-yl)phenyl]pyrimidin-2-amine;4-(3-fluoro-5-morpholin-4-ylphenyl)-N-[4-(3-pyridin-4-yl-1,2,4-triazol-1-yl)phenyl]pyrimidin-2-amine;1-[1-[4-[[4-(3-fluoro-5-morpholin-4-ylphenyl)pyrimidin-2-yl]amino]phenyl]-1,2,4-triazol-3-yl]piperidin-4-ol (PubChem CID 160730557) has the molecular formula C129H128BrF5N40O7 and a molecular weight of 2525.61 g/mol. Its IUPAC name is N-[4-(3-bromo-1,2,4-triazol-1-yl)phenyl]-4-(3-fluoro-5-morpholin-4-ylphenyl)pyrimidin-2-amine;4-(3-fluoro-5-morpholin-4-ylphenyl)-N-[4-[3-(4-methylpiperazin-1-yl)-1,2,4-triazol-1-yl]phenyl]pyrimidin-2-amine;4-(3-fluoro-5-morpholin-4-ylphenyl)-N-[4-(3-morpholin-4-yl-1,2,4-triazol-1-yl)phenyl]pyrimidin-2-amine;4-(3-fluoro-5-morpholin-4-ylphenyl)-N-[4-(3-pyridin-4-yl-1,2,4-triazol-1-yl)phenyl]pyrimidin-2-amine;1-[1-[4-[[4-(3-fluoro-5-morpholin-4-ylphenyl)pyrimidin-2-yl]amino]phenyl]-1,2,4-triazol-3-yl]piperidin-4-ol.

Molecular Properties

• Compound Name: N-[4-(3-bromo-1,2,4-triazol-1-yl)phenyl]-4-(3-fluoro-5-morpholin-4-ylphenyl)pyrimidin-2-amine;4-(3-fluoro-5-morpholin-4-ylphenyl)-N-[4-[3-(4-methylpiperazin-1-yl)-1,2,4-triazol-1-yl]phenyl]pyrimidin-2-amine;4-(3-fluoro-5-morpholin-4-ylphenyl)-N-[4-(3-morpholin-4-yl-1,2,4-triazol-1-yl)phenyl]pyrimidin-2-amine;4-(3-fluoro-5-morpholin-4-ylphenyl)-N-[4-(3-pyridin-4-yl-1,2,4-triazol-1-yl)phenyl]pyrimidin-2-amine;1-[1-[4-[[4-(3-fluoro-5-morpholin-4-ylphenyl)pyrimidin-2-yl]amino]phenyl]-1,2,4-triazol-3-yl]piperidin-4-ol
• PubChem CID: 160730557
• Molecular Formula: C129H128BrF5N40O7
• Molecular Weight: 2525.61 g/mol
• Exact Mass: 2523.00
• IUPAC Name: N-[4-(3-bromo-1,2,4-triazol-1-yl)phenyl]-4-(3-fluoro-5-morpholin-4-ylphenyl)pyrimidin-2-amine;4-(3-fluoro-5-morpholin-4-ylphenyl)-N-[4-[3-(4-methylpiperazin-1-yl)-1,2,4-triazol-1-yl]phenyl]pyrimidin-2-amine;4-(3-fluoro-5-morpholin-4-ylphenyl)-N-[4-(3-morpholin-4-yl-1,2,4-triazol-1-yl)phenyl]pyrimidin-2-amine;4-(3-fluoro-5-morpholin-4-ylphenyl)-N-[4-(3-pyridin-4-yl-1,2,4-triazol-1-yl)phenyl]pyrimidin-2-amine;1-[1-[4-[[4-(3-fluoro-5-morpholin-4-ylphenyl)pyrimidin-2-yl]amino]phenyl]-1,2,4-triazol-3-yl]piperidin-4-ol
• SMILES: CN1CCN(c2ncn(-c3ccc(Nc4nccc(-c5cc(F)cc(N6CCOCC6)c5)n4)cc3)n2)CC1.Fc1cc(-c2ccnc(Nc3ccc(-n4cnc(-c5ccncc5)n4)cc3)n2)cc(N2CCOCC2)c1.Fc1cc(-c2ccnc(Nc3ccc(-n4cnc(Br)n4)cc3)n2)cc(N2CCOCC2)c1.Fc1cc(-c2ccnc(Nc3ccc(-n4cnc(N5CCOCC5)n4)cc3)n2)cc(N2CCOCC2)c1.OC1CCN(c2ncn(-c3ccc(Nc4nccc(-c5cc(F)cc(N6CCOCC6)c5)n4)cc3)n2)CC1
• InChI: InChI=1S/C27H30FN9O.C27H29FN8O2.C27H23FN8O.C26H27FN8O2.C22H19BrFN7O/c1-34-8-10-36(11-9-34)27-30-19-37(33-27)23-4-2-22(3-5-23)31-26-29-7-6-25(32-26)20-16-21(28)18-24(17-20)35-12-14-38-15-13-35;28-20-15-19(16-23(17-20)34-11-13-38-14-12-34)25-5-8-29-26(32-25)31-21-1-3-22(4-2-21)36-18-30-27(33-36)35-9-6-24(37)7-10-35;28-21-15-20(16-24(17-21)35-11-13-37-14-12-35)25-7-10-30-27(33-25)32-22-1-3-23(4-2-22)36-18-31-26(34-36)19-5-8-29-9-6-19;27-20-15-19(16-23(17-20)33-7-11-36-12-8-33)24-5-6-28-25(31-24)30-21-1-3-22(4-2-21)35-18-29-26(32-35)34-9-13-37-14-10-34;23-21-26-14-31(29-21)18-3-1-17(2-4-18)27-22-25-6-5-20(28-22)15-11-16(24)13-19(12-15)30-7-9-32-10-8-30/h2-7,16-19H,8-15H2,1H3,(H,29,31,32);1-5,8,15-18,24,37H,6-7,9-14H2,(H,29,31,32);1-10,15-18H,11-14H2,(H,30,32,33);1-6,15-18H,7-14H2,(H,28,30,31);1-6,11-14H,7-10H2,(H,25,27,28)
• InChIKey: RUGXUTWWSDCQGE-UHFFFAOYSA-N
• XLogP: 18.59
• TPSA: 460.26 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 47
• Rotatable Bonds: 29
• Heavy Atoms: 182
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2525.61
LogP ≤ 5	18.59
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	47

Frequently Asked Questions

What is the IUPAC name of N-[4-(3-bromo-1,2,4-triazol-1-yl)phenyl]-4-(3-fluoro-5-morpholin-4-ylphenyl)pyrimidin-2-amine;4-(3-fluoro-5-morpholin-4-ylphenyl)-N-[4-[3-(4-methylpiperazin-1-yl)-1,2,4-triazol-1-yl]phenyl]pyrimidin-2-amine;4-(3-fluoro-5-morpholin-4-ylphenyl)-N-[4-(3-morpholin-4-yl-1,2,4-triazol-1-yl)phenyl]pyrimidin-2-amine;4-(3-fluoro-5-morpholin-4-ylphenyl)-N-[4-(3-pyridin-4-yl-1,2,4-triazol-1-yl)phenyl]pyrimidin-2-amine;1-[1-[4-[[4-(3-fluoro-5-morpholin-4-ylphenyl)pyrimidin-2-yl]amino]phenyl]-1,2,4-triazol-3-yl]piperidin-4-ol?

The IUPAC name of N-[4-(3-bromo-1,2,4-triazol-1-yl)phenyl]-4-(3-fluoro-5-morpholin-4-ylphenyl)pyrimidin-2-amine;4-(3-fluoro-5-morpholin-4-ylphenyl)-N-[4-[3-(4-methylpiperazin-1-yl)-1,2,4-triazol-1-yl]phenyl]pyrimidin-2-amine;4-(3-fluoro-5-morpholin-4-ylphenyl)-N-[4-(3-morpholin-4-yl-1,2,4-triazol-1-yl)phenyl]pyrimidin-2-amine;4-(3-fluoro-5-morpholin-4-ylphenyl)-N-[4-(3-pyridin-4-yl-1,2,4-triazol-1-yl)phenyl]pyrimidin-2-amine;1-[1-[4-[[4-(3-fluoro-5-morpholin-4-ylphenyl)pyrimidin-2-yl]amino]phenyl]-1,2,4-triazol-3-yl]piperidin-4-ol (CID 160730557) is N-[4-(3-bromo-1,2,4-triazol-1-yl)phenyl]-4-(3-fluoro-5-morpholin-4-ylphenyl)pyrimidin-2-amine;4-(3-fluoro-5-morpholin-4-ylphenyl)-N-[4-[3-(4-methylpiperazin-1-yl)-1,2,4-triazol-1-yl]phenyl]pyrimidin-2-amine;4-(3-fluoro-5-morpholin-4-ylphenyl)-N-[4-(3-morpholin-4-yl-1,2,4-triazol-1-yl)phenyl]pyrimidin-2-amine;4-(3-fluoro-5-morpholin-4-ylphenyl)-N-[4-(3-pyridin-4-yl-1,2,4-triazol-1-yl)phenyl]pyrimidin-2-amine;1-[1-[4-[[4-(3-fluoro-5-morpholin-4-ylphenyl)pyrimidin-2-yl]amino]phenyl]-1,2,4-triazol-3-yl]piperidin-4-ol.

What is the SMILES notation for N-[4-(3-bromo-1,2,4-triazol-1-yl)phenyl]-4-(3-fluoro-5-morpholin-4-ylphenyl)pyrimidin-2-amine;4-(3-fluoro-5-morpholin-4-ylphenyl)-N-[4-[3-(4-methylpiperazin-1-yl)-1,2,4-triazol-1-yl]phenyl]pyrimidin-2-amine;4-(3-fluoro-5-morpholin-4-ylphenyl)-N-[4-(3-morpholin-4-yl-1,2,4-triazol-1-yl)phenyl]pyrimidin-2-amine;4-(3-fluoro-5-morpholin-4-ylphenyl)-N-[4-(3-pyridin-4-yl-1,2,4-triazol-1-yl)phenyl]pyrimidin-2-amine;1-[1-[4-[[4-(3-fluoro-5-morpholin-4-ylphenyl)pyrimidin-2-yl]amino]phenyl]-1,2,4-triazol-3-yl]piperidin-4-ol?

The canonical SMILES for N-[4-(3-bromo-1,2,4-triazol-1-yl)phenyl]-4-(3-fluoro-5-morpholin-4-ylphenyl)pyrimidin-2-amine;4-(3-fluoro-5-morpholin-4-ylphenyl)-N-[4-[3-(4-methylpiperazin-1-yl)-1,2,4-triazol-1-yl]phenyl]pyrimidin-2-amine;4-(3-fluoro-5-morpholin-4-ylphenyl)-N-[4-(3-morpholin-4-yl-1,2,4-triazol-1-yl)phenyl]pyrimidin-2-amine;4-(3-fluoro-5-morpholin-4-ylphenyl)-N-[4-(3-pyridin-4-yl-1,2,4-triazol-1-yl)phenyl]pyrimidin-2-amine;1-[1-[4-[[4-(3-fluoro-5-morpholin-4-ylphenyl)pyrimidin-2-yl]amino]phenyl]-1,2,4-triazol-3-yl]piperidin-4-ol is CN1CCN(c2ncn(-c3ccc(Nc4nccc(-c5cc(F)cc(N6CCOCC6)c5)n4)cc3)n2)CC1.Fc1cc(-c2ccnc(Nc3ccc(-n4cnc(-c5ccncc5)n4)cc3)n2)cc(N2CCOCC2)c1.Fc1cc(-c2ccnc(Nc3ccc(-n4cnc(Br)n4)cc3)n2)cc(N2CCOCC2)c1.Fc1cc(-c2ccnc(Nc3ccc(-n4cnc(N5CCOCC5)n4)cc3)n2)cc(N2CCOCC2)c1.OC1CCN(c2ncn(-c3ccc(Nc4nccc(-c5cc(F)cc(N6CCOCC6)c5)n4)cc3)n2)CC1.

What is the InChIKey of N-[4-(3-bromo-1,2,4-triazol-1-yl)phenyl]-4-(3-fluoro-5-morpholin-4-ylphenyl)pyrimidin-2-amine;4-(3-fluoro-5-morpholin-4-ylphenyl)-N-[4-[3-(4-methylpiperazin-1-yl)-1,2,4-triazol-1-yl]phenyl]pyrimidin-2-amine;4-(3-fluoro-5-morpholin-4-ylphenyl)-N-[4-(3-morpholin-4-yl-1,2,4-triazol-1-yl)phenyl]pyrimidin-2-amine;4-(3-fluoro-5-morpholin-4-ylphenyl)-N-[4-(3-pyridin-4-yl-1,2,4-triazol-1-yl)phenyl]pyrimidin-2-amine;1-[1-[4-[[4-(3-fluoro-5-morpholin-4-ylphenyl)pyrimidin-2-yl]amino]phenyl]-1,2,4-triazol-3-yl]piperidin-4-ol?

The InChIKey is RUGXUTWWSDCQGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H30FN9O.C27H29FN8O2.C27H23FN8O.C26H27FN8O2.C22H19BrFN7O/c1-34-8-10-36(11-9-34)27-30-19-37(33-27)23-4-2-22(3-5-23)31-26-29-7-6-25(32-26)20-16-21(28)18-24(17-20)35-12-14-38-15-13-35;28-20-15-19(16-23(17-20)34-11-13-38-14-12-34)25-5-8-29-26(32-25)31-21-1-3-22(4-2-21)36-18-30-27(33-36)35-9-6-24(37)7-10-35;28-21-15-20(16-24(17-21)35-11-13-37-14-12-35)25-7-10-30-27(33-25)32-22-1-3-23(4-2-22)36-18-31-26(34-36)19-5-8-29-9-6-19;27-20-15-19(16-23(17-20)33-7-11-36-12-8-33)24-5-6-28-25(31-24)30-21-1-3-22(4-2-21)35-18-29-26(32-35)34-9-13-37-14-10-34;23-21-26-14-31(29-21)18-3-1-17(2-4-18)27-22-25-6-5-20(28-22)15-11-16(24)13-19(12-15)30-7-9-32-10-8-30/h2-7,16-19H,8-15H2,1H3,(H,29,31,32);1-5,8,15-18,24,37H,6-7,9-14H2,(H,29,31,32);1-10,15-18H,11-14H2,(H,30,32,33);1-6,15-18H,7-14H2,(H,28,30,31);1-6,11-14H,7-10H2,(H,25,27,28).

What are the key properties of N-[4-(3-bromo-1,2,4-triazol-1-yl)phenyl]-4-(3-fluoro-5-morpholin-4-ylphenyl)pyrimidin-2-amine;4-(3-fluoro-5-morpholin-4-ylphenyl)-N-[4-[3-(4-methylpiperazin-1-yl)-1,2,4-triazol-1-yl]phenyl]pyrimidin-2-amine;4-(3-fluoro-5-morpholin-4-ylphenyl)-N-[4-(3-morpholin-4-yl-1,2,4-triazol-1-yl)phenyl]pyrimidin-2-amine;4-(3-fluoro-5-morpholin-4-ylphenyl)-N-[4-(3-pyridin-4-yl-1,2,4-triazol-1-yl)phenyl]pyrimidin-2-amine;1-[1-[4-[[4-(3-fluoro-5-morpholin-4-ylphenyl)pyrimidin-2-yl]amino]phenyl]-1,2,4-triazol-3-yl]piperidin-4-ol?

N-[4-(3-bromo-1,2,4-triazol-1-yl)phenyl]-4-(3-fluoro-5-morpholin-4-ylphenyl)pyrimidin-2-amine;4-(3-fluoro-5-morpholin-4-ylphenyl)-N-[4-[3-(4-methylpiperazin-1-yl)-1,2,4-triazol-1-yl]phenyl]pyrimidin-2-amine;4-(3-fluoro-5-morpholin-4-ylphenyl)-N-[4-(3-morpholin-4-yl-1,2,4-triazol-1-yl)phenyl]pyrimidin-2-amine;4-(3-fluoro-5-morpholin-4-ylphenyl)-N-[4-(3-pyridin-4-yl-1,2,4-triazol-1-yl)phenyl]pyrimidin-2-amine;1-[1-[4-[[4-(3-fluoro-5-morpholin-4-ylphenyl)pyrimidin-2-yl]amino]phenyl]-1,2,4-triazol-3-yl]piperidin-4-ol has a molecular weight of 2525.61 g/mol, XLogP of 18.59, 29 rotatable bonds, 6 hydrogen bond donors, and 47 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-fluoro-5-morpholin-4-ylphenyl)pyrimidin-2-amine;4-(3-fluoro-5-morpholin-4-ylphenyl)-N-[4-[3-(4-methylpiperazin-1-yl)-1,2,4-triazol-1-yl]phenyl]pyrimidin-2-amine;4-(3-fluoro-5-morpholin-4-ylphenyl)-N-[4-(3-morpholin-4-yl-1,2,4-triazol-1-yl)phenyl]pyrimidin-2-amine;4-(3-fluoro-5-morpholin-4-ylphenyl)-N-[4-(3-pyridin-4-yl-1,2,4-triazol-1-yl)phenyl]pyrimidin-2-amine;1-[1-[4-[[4-(3-fluoro-5-morpholin-4-ylphenyl)pyrimidin-2-yl]amino]phenyl]-1,2,4-triazol-3-yl]piperidin-4-ol is sourced from PubChem (CID 160730557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).