N-[4-[3-(5-chloro-3-pyridinyl)-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-(2-methyl-3-pyridinyl)-1,2,4-triazol-1-yl]phenyl]pyrimidin-2-amine;4-(3-fluoro-5-morpholin-4-ylphenyl)-N-[4-[3-(3-methyl-2-pyridinyl)-1,2,4-triazol-1-yl]phenyl]pyrimidin-2-amine;4-(3-fluoro-5-morpholin-4-ylphenyl)-N-[4-[3-(6-methyl-2-pyridinyl)-1,2,4-triazol-1-yl]phenyl]pyrimidin-2-amine;4-(3-fluoro-5-morpholin-4-ylphenyl)-N-[4-[3-[6-(trifluoromethyl)-3-pyridinyl]-1,2,4-triazol-1-yl]phenyl]pyrimidin-2-amine

C139H119ClF8N40O5 — CID 159449952

About N-[4-[3-(5-chloro-3-pyridinyl)-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-(2-methyl-3-pyridinyl)-1,2,4-triazol-1-yl]phenyl]pyrimidin-2-amine;4-(3-fluoro-5-morpholin-4-ylphenyl)-N-[4-[3-(3-methyl-2-pyridinyl)-1,2,4-triazol-1-yl]phenyl]pyrimidin-2-amine;4-(3-fluoro-5-morpholin-4-ylphenyl)-N-[4-[3-(6-methyl-2-pyridinyl)-1,2,4-triazol-1-yl]phenyl]pyrimidin-2-amine;4-(3-fluoro-5-morpholin-4-ylphenyl)-N-[4-[3-[6-(trifluoromethyl)-3-pyridinyl]-1,2,4-triazol-1-yl]phenyl]pyrimidin-2-amine

N-[4-[3-(5-chloro-3-pyridinyl)-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-(2-methyl-3-pyridinyl)-1,2,4-triazol-1-yl]phenyl]pyrimidin-2-amine;4-(3-fluoro-5-morpholin-4-ylphenyl)-N-[4-[3-(3-methyl-2-pyridinyl)-1,2,4-triazol-1-yl]phenyl]pyrimidin-2-amine;4-(3-fluoro-5-morpholin-4-ylphenyl)-N-[4-[3-(6-methyl-2-pyridinyl)-1,2,4-triazol-1-yl]phenyl]pyrimidin-2-amine;4-(3-fluoro-5-morpholin-4-ylphenyl)-N-[4-[3-[6-(trifluoromethyl)-3-pyridinyl]-1,2,4-triazol-1-yl]phenyl]pyrimidin-2-amine (PubChem CID 159449952) has the molecular formula C139H119ClF8N40O5 and a molecular weight of 2617.19 g/mol. Its IUPAC name is N-[4-[3-(5-chloro-3-pyridinyl)-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-(2-methyl-3-pyridinyl)-1,2,4-triazol-1-yl]phenyl]pyrimidin-2-amine;4-(3-fluoro-5-morpholin-4-ylphenyl)-N-[4-[3-(3-methyl-2-pyridinyl)-1,2,4-triazol-1-yl]phenyl]pyrimidin-2-amine;4-(3-fluoro-5-morpholin-4-ylphenyl)-N-[4-[3-(6-methyl-2-pyridinyl)-1,2,4-triazol-1-yl]phenyl]pyrimidin-2-amine;4-(3-fluoro-5-morpholin-4-ylphenyl)-N-[4-[3-[6-(trifluoromethyl)-3-pyridinyl]-1,2,4-triazol-1-yl]phenyl]pyrimidin-2-amine.

Molecular Properties

• Compound Name: N-[4-[3-(5-chloro-3-pyridinyl)-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-(2-methyl-3-pyridinyl)-1,2,4-triazol-1-yl]phenyl]pyrimidin-2-amine;4-(3-fluoro-5-morpholin-4-ylphenyl)-N-[4-[3-(3-methyl-2-pyridinyl)-1,2,4-triazol-1-yl]phenyl]pyrimidin-2-amine;4-(3-fluoro-5-morpholin-4-ylphenyl)-N-[4-[3-(6-methyl-2-pyridinyl)-1,2,4-triazol-1-yl]phenyl]pyrimidin-2-amine;4-(3-fluoro-5-morpholin-4-ylphenyl)-N-[4-[3-[6-(trifluoromethyl)-3-pyridinyl]-1,2,4-triazol-1-yl]phenyl]pyrimidin-2-amine
• PubChem CID: 159449952
• Molecular Formula: C139H119ClF8N40O5
• Molecular Weight: 2617.19 g/mol
• Exact Mass: 2614.98
• IUPAC Name: N-[4-[3-(5-chloro-3-pyridinyl)-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-(2-methyl-3-pyridinyl)-1,2,4-triazol-1-yl]phenyl]pyrimidin-2-amine;4-(3-fluoro-5-morpholin-4-ylphenyl)-N-[4-[3-(3-methyl-2-pyridinyl)-1,2,4-triazol-1-yl]phenyl]pyrimidin-2-amine;4-(3-fluoro-5-morpholin-4-ylphenyl)-N-[4-[3-(6-methyl-2-pyridinyl)-1,2,4-triazol-1-yl]phenyl]pyrimidin-2-amine;4-(3-fluoro-5-morpholin-4-ylphenyl)-N-[4-[3-[6-(trifluoromethyl)-3-pyridinyl]-1,2,4-triazol-1-yl]phenyl]pyrimidin-2-amine
• SMILES: Cc1cccc(-c2ncn(-c3ccc(Nc4nccc(-c5cc(F)cc(N6CCOCC6)c5)n4)cc3)n2)n1.Cc1cccnc1-c1ncn(-c2ccc(Nc3nccc(-c4cc(F)cc(N5CCOCC5)c4)n3)cc2)n1.Cc1ncccc1-c1ncn(-c2ccc(Nc3nccc(-c4cc(F)cc(N5CCOCC5)c4)n3)cc2)n1.Fc1cc(-c2ccnc(Nc3ccc(-n4cnc(-c5ccc(C(F)(F)F)nc5)n4)cc3)n2)cc(N2CCOCC2)c1.Fc1cc(-c2ccnc(Nc3ccc(-n4cnc(-c5cncc(Cl)c5)n4)cc3)n2)cc(N2CCOCC2)c1
• InChI: InChI=1S/C28H22F4N8O.3C28H25FN8O.C27H22ClFN8O/c29-20-13-19(14-23(15-20)39-9-11-41-12-10-39)24-7-8-33-27(37-24)36-21-2-4-22(5-3-21)40-17-35-26(38-40)18-1-6-25(34-16-18)28(30,31)32;1-19-25(3-2-9-30-19)27-32-18-37(35-27)23-6-4-22(5-7-23)33-28-31-10-8-26(34-28)20-15-21(29)17-24(16-20)36-11-13-38-14-12-36;1-19-3-2-9-30-26(19)27-32-18-37(35-27)23-6-4-22(5-7-23)33-28-31-10-8-25(34-28)20-15-21(29)17-24(16-20)36-11-13-38-14-12-36;1-19-3-2-4-26(32-19)27-31-18-37(35-27)23-7-5-22(6-8-23)33-28-30-10-9-25(34-28)20-15-21(29)17-24(16-20)36-11-13-38-14-12-36;28-20-11-19(15-30-16-20)26-32-17-37(35-26)23-3-1-22(2-4-23)33-27-31-6-5-25(34-27)18-12-21(29)14-24(13-18)36-7-9-38-10-8-36/h1-8,13-17H,9-12H2,(H,33,36,37);2*2-10,15-18H,11-14H2,1H3,(H,31,33,34);2-10,15-18H,11-14H2,1H3,(H,30,33,34);1-6,11-17H,7-10H2,(H,31,33,34)
• InChIKey: LTFZXSACFRWZSE-UHFFFAOYSA-N
• XLogP: 25.13
• TPSA: 469.40 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 45
• Rotatable Bonds: 30
• Heavy Atoms: 193
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2617.19
LogP ≤ 5	25.13
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	45

Frequently Asked Questions

What is the IUPAC name of N-[4-[3-(5-chloro-3-pyridinyl)-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-(2-methyl-3-pyridinyl)-1,2,4-triazol-1-yl]phenyl]pyrimidin-2-amine;4-(3-fluoro-5-morpholin-4-ylphenyl)-N-[4-[3-(3-methyl-2-pyridinyl)-1,2,4-triazol-1-yl]phenyl]pyrimidin-2-amine;4-(3-fluoro-5-morpholin-4-ylphenyl)-N-[4-[3-(6-methyl-2-pyridinyl)-1,2,4-triazol-1-yl]phenyl]pyrimidin-2-amine;4-(3-fluoro-5-morpholin-4-ylphenyl)-N-[4-[3-[6-(trifluoromethyl)-3-pyridinyl]-1,2,4-triazol-1-yl]phenyl]pyrimidin-2-amine?

The IUPAC name of N-[4-[3-(5-chloro-3-pyridinyl)-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-(2-methyl-3-pyridinyl)-1,2,4-triazol-1-yl]phenyl]pyrimidin-2-amine;4-(3-fluoro-5-morpholin-4-ylphenyl)-N-[4-[3-(3-methyl-2-pyridinyl)-1,2,4-triazol-1-yl]phenyl]pyrimidin-2-amine;4-(3-fluoro-5-morpholin-4-ylphenyl)-N-[4-[3-(6-methyl-2-pyridinyl)-1,2,4-triazol-1-yl]phenyl]pyrimidin-2-amine;4-(3-fluoro-5-morpholin-4-ylphenyl)-N-[4-[3-[6-(trifluoromethyl)-3-pyridinyl]-1,2,4-triazol-1-yl]phenyl]pyrimidin-2-amine (CID 159449952) is N-[4-[3-(5-chloro-3-pyridinyl)-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-(2-methyl-3-pyridinyl)-1,2,4-triazol-1-yl]phenyl]pyrimidin-2-amine;4-(3-fluoro-5-morpholin-4-ylphenyl)-N-[4-[3-(3-methyl-2-pyridinyl)-1,2,4-triazol-1-yl]phenyl]pyrimidin-2-amine;4-(3-fluoro-5-morpholin-4-ylphenyl)-N-[4-[3-(6-methyl-2-pyridinyl)-1,2,4-triazol-1-yl]phenyl]pyrimidin-2-amine;4-(3-fluoro-5-morpholin-4-ylphenyl)-N-[4-[3-[6-(trifluoromethyl)-3-pyridinyl]-1,2,4-triazol-1-yl]phenyl]pyrimidin-2-amine.

What is the SMILES notation for N-[4-[3-(5-chloro-3-pyridinyl)-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-(2-methyl-3-pyridinyl)-1,2,4-triazol-1-yl]phenyl]pyrimidin-2-amine;4-(3-fluoro-5-morpholin-4-ylphenyl)-N-[4-[3-(3-methyl-2-pyridinyl)-1,2,4-triazol-1-yl]phenyl]pyrimidin-2-amine;4-(3-fluoro-5-morpholin-4-ylphenyl)-N-[4-[3-(6-methyl-2-pyridinyl)-1,2,4-triazol-1-yl]phenyl]pyrimidin-2-amine;4-(3-fluoro-5-morpholin-4-ylphenyl)-N-[4-[3-[6-(trifluoromethyl)-3-pyridinyl]-1,2,4-triazol-1-yl]phenyl]pyrimidin-2-amine?

The canonical SMILES for N-[4-[3-(5-chloro-3-pyridinyl)-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-(2-methyl-3-pyridinyl)-1,2,4-triazol-1-yl]phenyl]pyrimidin-2-amine;4-(3-fluoro-5-morpholin-4-ylphenyl)-N-[4-[3-(3-methyl-2-pyridinyl)-1,2,4-triazol-1-yl]phenyl]pyrimidin-2-amine;4-(3-fluoro-5-morpholin-4-ylphenyl)-N-[4-[3-(6-methyl-2-pyridinyl)-1,2,4-triazol-1-yl]phenyl]pyrimidin-2-amine;4-(3-fluoro-5-morpholin-4-ylphenyl)-N-[4-[3-[6-(trifluoromethyl)-3-pyridinyl]-1,2,4-triazol-1-yl]phenyl]pyrimidin-2-amine is Cc1cccc(-c2ncn(-c3ccc(Nc4nccc(-c5cc(F)cc(N6CCOCC6)c5)n4)cc3)n2)n1.Cc1cccnc1-c1ncn(-c2ccc(Nc3nccc(-c4cc(F)cc(N5CCOCC5)c4)n3)cc2)n1.Cc1ncccc1-c1ncn(-c2ccc(Nc3nccc(-c4cc(F)cc(N5CCOCC5)c4)n3)cc2)n1.Fc1cc(-c2ccnc(Nc3ccc(-n4cnc(-c5ccc(C(F)(F)F)nc5)n4)cc3)n2)cc(N2CCOCC2)c1.Fc1cc(-c2ccnc(Nc3ccc(-n4cnc(-c5cncc(Cl)c5)n4)cc3)n2)cc(N2CCOCC2)c1.

What is the InChIKey of N-[4-[3-(5-chloro-3-pyridinyl)-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-(2-methyl-3-pyridinyl)-1,2,4-triazol-1-yl]phenyl]pyrimidin-2-amine;4-(3-fluoro-5-morpholin-4-ylphenyl)-N-[4-[3-(3-methyl-2-pyridinyl)-1,2,4-triazol-1-yl]phenyl]pyrimidin-2-amine;4-(3-fluoro-5-morpholin-4-ylphenyl)-N-[4-[3-(6-methyl-2-pyridinyl)-1,2,4-triazol-1-yl]phenyl]pyrimidin-2-amine;4-(3-fluoro-5-morpholin-4-ylphenyl)-N-[4-[3-[6-(trifluoromethyl)-3-pyridinyl]-1,2,4-triazol-1-yl]phenyl]pyrimidin-2-amine?

The InChIKey is LTFZXSACFRWZSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H22F4N8O.3C28H25FN8O.C27H22ClFN8O/c29-20-13-19(14-23(15-20)39-9-11-41-12-10-39)24-7-8-33-27(37-24)36-21-2-4-22(5-3-21)40-17-35-26(38-40)18-1-6-25(34-16-18)28(30,31)32;1-19-25(3-2-9-30-19)27-32-18-37(35-27)23-6-4-22(5-7-23)33-28-31-10-8-26(34-28)20-15-21(29)17-24(16-20)36-11-13-38-14-12-36;1-19-3-2-9-30-26(19)27-32-18-37(35-27)23-6-4-22(5-7-23)33-28-31-10-8-25(34-28)20-15-21(29)17-24(16-20)36-11-13-38-14-12-36;1-19-3-2-4-26(32-19)27-31-18-37(35-27)23-7-5-22(6-8-23)33-28-30-10-9-25(34-28)20-15-21(29)17-24(16-20)36-11-13-38-14-12-36;28-20-11-19(15-30-16-20)26-32-17-37(35-26)23-3-1-22(2-4-23)33-27-31-6-5-25(34-27)18-12-21(29)14-24(13-18)36-7-9-38-10-8-36/h1-8,13-17H,9-12H2,(H,33,36,37);2*2-10,15-18H,11-14H2,1H3,(H,31,33,34);2-10,15-18H,11-14H2,1H3,(H,30,33,34);1-6,11-17H,7-10H2,(H,31,33,34).

What are the key properties of N-[4-[3-(5-chloro-3-pyridinyl)-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-(2-methyl-3-pyridinyl)-1,2,4-triazol-1-yl]phenyl]pyrimidin-2-amine;4-(3-fluoro-5-morpholin-4-ylphenyl)-N-[4-[3-(3-methyl-2-pyridinyl)-1,2,4-triazol-1-yl]phenyl]pyrimidin-2-amine;4-(3-fluoro-5-morpholin-4-ylphenyl)-N-[4-[3-(6-methyl-2-pyridinyl)-1,2,4-triazol-1-yl]phenyl]pyrimidin-2-amine;4-(3-fluoro-5-morpholin-4-ylphenyl)-N-[4-[3-[6-(trifluoromethyl)-3-pyridinyl]-1,2,4-triazol-1-yl]phenyl]pyrimidin-2-amine?

N-[4-[3-(5-chloro-3-pyridinyl)-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-(2-methyl-3-pyridinyl)-1,2,4-triazol-1-yl]phenyl]pyrimidin-2-amine;4-(3-fluoro-5-morpholin-4-ylphenyl)-N-[4-[3-(3-methyl-2-pyridinyl)-1,2,4-triazol-1-yl]phenyl]pyrimidin-2-amine;4-(3-fluoro-5-morpholin-4-ylphenyl)-N-[4-[3-(6-methyl-2-pyridinyl)-1,2,4-triazol-1-yl]phenyl]pyrimidin-2-amine;4-(3-fluoro-5-morpholin-4-ylphenyl)-N-[4-[3-[6-(trifluoromethyl)-3-pyridinyl]-1,2,4-triazol-1-yl]phenyl]pyrimidin-2-amine has a molecular weight of 2617.19 g/mol, XLogP of 25.13, 30 rotatable bonds, 5 hydrogen bond donors, and 45 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-[3-(5-chloro-3-pyridinyl)-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-(2-methyl-3-pyridinyl)-1,2,4-triazol-1-yl]phenyl]pyrimidin-2-amine;4-(3-fluoro-5-morpholin-4-ylphenyl)-N-[4-[3-(3-methyl-2-pyridinyl)-1,2,4-triazol-1-yl]phenyl]pyrimidin-2-amine;4-(3-fluoro-5-morpholin-4-ylphenyl)-N-[4-[3-(6-methyl-2-pyridinyl)-1,2,4-triazol-1-yl]phenyl]pyrimidin-2-amine;4-(3-fluoro-5-morpholin-4-ylphenyl)-N-[4-[3-[6-(trifluoromethyl)-3-pyridinyl]-1,2,4-triazol-1-yl]phenyl]pyrimidin-2-amine is sourced from PubChem (CID 159449952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).