N-[(E)-(5-anilino-2-pyridinyl)methylideneamino]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine;N-[(E)-[4-(3-chloroanilino)-2-methoxyphenyl]methylideneamino]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine;3-[3-chloro-5-[4-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-3-(2-methylpropyl)anilino]phenyl]phenol;5-fluoro-N-[(E)-[3-methyl-5-[3-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]-4-morpholin-4-ylpyrimidin-2-amine;3-[3-[4-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-3-(2-methylpropyl)anilino]-5-(trifluoromethyl)phenyl]phenol

C127H127Cl2F11N32O8 — CID 172920574

About N-[(E)-(5-anilino-2-pyridinyl)methylideneamino]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine;N-[(E)-[4-(3-chloroanilino)-2-methoxyphenyl]methylideneamino]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine;3-[3-chloro-5-[4-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-3-(2-methylpropyl)anilino]phenyl]phenol;5-fluoro-N-[(E)-[3-methyl-5-[3-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]-4-morpholin-4-ylpyrimidin-2-amine;3-[3-[4-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-3-(2-methylpropyl)anilino]-5-(trifluoromethyl)phenyl]phenol

N-[(E)-(5-anilino-2-pyridinyl)methylideneamino]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine;N-[(E)-[4-(3-chloroanilino)-2-methoxyphenyl]methylideneamino]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine;3-[3-chloro-5-[4-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-3-(2-methylpropyl)anilino]phenyl]phenol;5-fluoro-N-[(E)-[3-methyl-5-[3-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]-4-morpholin-4-ylpyrimidin-2-amine;3-[3-[4-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-3-(2-methylpropyl)anilino]-5-(trifluoromethyl)phenyl]phenol (PubChem CID 172920574) has the molecular formula C127H127Cl2F11N32O8 and a molecular weight of 2509.51 g/mol. Its IUPAC name is N-[(E)-(5-anilino-2-pyridinyl)methylideneamino]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine;N-[(E)-[4-(3-chloroanilino)-2-methoxyphenyl]methylideneamino]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine;3-[3-chloro-5-[4-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-3-(2-methylpropyl)anilino]phenyl]phenol;5-fluoro-N-[(E)-[3-methyl-5-[3-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]-4-morpholin-4-ylpyrimidin-2-amine;3-[3-[4-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-3-(2-methylpropyl)anilino]-5-(trifluoromethyl)phenyl]phenol.

Molecular Properties

• Compound Name: N-[(E)-(5-anilino-2-pyridinyl)methylideneamino]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine;N-[(E)-[4-(3-chloroanilino)-2-methoxyphenyl]methylideneamino]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine;3-[3-chloro-5-[4-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-3-(2-methylpropyl)anilino]phenyl]phenol;5-fluoro-N-[(E)-[3-methyl-5-[3-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]-4-morpholin-4-ylpyrimidin-2-amine;3-[3-[4-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-3-(2-methylpropyl)anilino]-5-(trifluoromethyl)phenyl]phenol
• PubChem CID: 172920574
• Molecular Formula: C127H127Cl2F11N32O8
• Molecular Weight: 2509.51 g/mol
• Exact Mass: 2506.97
• IUPAC Name: N-[(E)-(5-anilino-2-pyridinyl)methylideneamino]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine;N-[(E)-[4-(3-chloroanilino)-2-methoxyphenyl]methylideneamino]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine;3-[3-chloro-5-[4-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-3-(2-methylpropyl)anilino]phenyl]phenol;5-fluoro-N-[(E)-[3-methyl-5-[3-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]-4-morpholin-4-ylpyrimidin-2-amine;3-[3-[4-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-3-(2-methylpropyl)anilino]-5-(trifluoromethyl)phenyl]phenol
• SMILES: CC(C)Cc1cc(Nc2cc(-c3cccc(O)c3)cc(C(F)(F)F)c2)ccc1/C=N/Nc1ncc(F)c(N2CCOCC2)n1.CC(C)Cc1cc(Nc2cc(Cl)cc(-c3cccc(O)c3)c2)ccc1/C=N/Nc1ncc(F)c(N2CCOCC2)n1.COc1cc(Nc2cccc(Cl)c2)ccc1/C=N/Nc1ncc(F)c(N2CCOCC2)n1.Cc1cc(Nc2cccc(C(F)(F)F)c2)cnc1/C=N/Nc1ncc(F)c(N2CCOCC2)n1.Fc1cnc(N/N=C/c2ccc(Nc3ccccc3)cn2)nc1N1CCOCC1
• InChI: InChI=1S/C32H32F4N6O2.C31H32ClFN6O2.C22H22ClFN6O2.C22H21F4N7O.C20H20FN7O/c1-20(2)12-23-14-26(39-27-15-24(13-25(17-27)32(34,35)36)21-4-3-5-28(43)16-21)7-6-22(23)18-38-41-31-37-19-29(33)30(40-31)42-8-10-44-11-9-42;1-20(2)12-23-14-26(36-27-15-24(13-25(32)17-27)21-4-3-5-28(40)16-21)7-6-22(23)18-35-38-31-34-19-29(33)30(37-31)39-8-10-41-11-9-39;1-31-20-12-18(27-17-4-2-3-16(23)11-17)6-5-15(20)13-26-29-22-25-14-19(24)21(28-22)30-7-9-32-10-8-30;1-14-9-17(30-16-4-2-3-15(10-16)22(24,25)26)11-27-19(14)13-29-32-21-28-12-18(23)20(31-21)33-5-7-34-8-6-33;21-18-14-23-20(26-19(18)28-8-10-29-11-9-28)27-24-13-16-6-7-17(12-22-16)25-15-4-2-1-3-5-15/h3-7,13-20,39,43H,8-12H2,1-2H3,(H,37,40,41);3-7,13-20,36,40H,8-12H2,1-2H3,(H,34,37,38);2-6,11-14,27H,7-10H2,1H3,(H,25,28,29);2-4,9-13,30H,5-8H2,1H3,(H,28,31,32);1-7,12-14,25H,8-11H2,(H,23,26,27)/b38-18+;35-18+;26-13+;29-13+;24-13+
• InChIKey: APXZXYNQYJKAES-GUWVCMCQSA-N
• XLogP: 25.80
• TPSA: 448.82 Ų
• H-Bond Donors: 12
• H-Bond Acceptors: 40
• Rotatable Bonds: 37
• Heavy Atoms: 180
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2509.51
LogP ≤ 5	25.80
H-Bond Donors ≤ 5	12
H-Bond Acceptors ≤ 10	40

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[(E)-(5-anilino-2-pyridinyl)methylideneamino]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine;N-[(E)-[4-(3-chloroanilino)-2-methoxyphenyl]methylideneamino]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine;3-[3-chloro-5-[4-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-3-(2-methylpropyl)anilino]phenyl]phenol;5-fluoro-N-[(E)-[3-methyl-5-[3-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]-4-morpholin-4-ylpyrimidin-2-amine;3-[3-[4-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-3-(2-methylpropyl)anilino]-5-(trifluoromethyl)phenyl]phenol?

The IUPAC name of N-[(E)-(5-anilino-2-pyridinyl)methylideneamino]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine;N-[(E)-[4-(3-chloroanilino)-2-methoxyphenyl]methylideneamino]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine;3-[3-chloro-5-[4-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-3-(2-methylpropyl)anilino]phenyl]phenol;5-fluoro-N-[(E)-[3-methyl-5-[3-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]-4-morpholin-4-ylpyrimidin-2-amine;3-[3-[4-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-3-(2-methylpropyl)anilino]-5-(trifluoromethyl)phenyl]phenol (CID 172920574) is N-[(E)-(5-anilino-2-pyridinyl)methylideneamino]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine;N-[(E)-[4-(3-chloroanilino)-2-methoxyphenyl]methylideneamino]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine;3-[3-chloro-5-[4-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-3-(2-methylpropyl)anilino]phenyl]phenol;5-fluoro-N-[(E)-[3-methyl-5-[3-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]-4-morpholin-4-ylpyrimidin-2-amine;3-[3-[4-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-3-(2-methylpropyl)anilino]-5-(trifluoromethyl)phenyl]phenol.

What is the SMILES notation for N-[(E)-(5-anilino-2-pyridinyl)methylideneamino]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine;N-[(E)-[4-(3-chloroanilino)-2-methoxyphenyl]methylideneamino]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine;3-[3-chloro-5-[4-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-3-(2-methylpropyl)anilino]phenyl]phenol;5-fluoro-N-[(E)-[3-methyl-5-[3-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]-4-morpholin-4-ylpyrimidin-2-amine;3-[3-[4-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-3-(2-methylpropyl)anilino]-5-(trifluoromethyl)phenyl]phenol?

The canonical SMILES for N-[(E)-(5-anilino-2-pyridinyl)methylideneamino]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine;N-[(E)-[4-(3-chloroanilino)-2-methoxyphenyl]methylideneamino]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine;3-[3-chloro-5-[4-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-3-(2-methylpropyl)anilino]phenyl]phenol;5-fluoro-N-[(E)-[3-methyl-5-[3-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]-4-morpholin-4-ylpyrimidin-2-amine;3-[3-[4-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-3-(2-methylpropyl)anilino]-5-(trifluoromethyl)phenyl]phenol is CC(C)Cc1cc(Nc2cc(-c3cccc(O)c3)cc(C(F)(F)F)c2)ccc1/C=N/Nc1ncc(F)c(N2CCOCC2)n1.CC(C)Cc1cc(Nc2cc(Cl)cc(-c3cccc(O)c3)c2)ccc1/C=N/Nc1ncc(F)c(N2CCOCC2)n1.COc1cc(Nc2cccc(Cl)c2)ccc1/C=N/Nc1ncc(F)c(N2CCOCC2)n1.Cc1cc(Nc2cccc(C(F)(F)F)c2)cnc1/C=N/Nc1ncc(F)c(N2CCOCC2)n1.Fc1cnc(N/N=C/c2ccc(Nc3ccccc3)cn2)nc1N1CCOCC1.

What is the InChIKey of N-[(E)-(5-anilino-2-pyridinyl)methylideneamino]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine;N-[(E)-[4-(3-chloroanilino)-2-methoxyphenyl]methylideneamino]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine;3-[3-chloro-5-[4-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-3-(2-methylpropyl)anilino]phenyl]phenol;5-fluoro-N-[(E)-[3-methyl-5-[3-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]-4-morpholin-4-ylpyrimidin-2-amine;3-[3-[4-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-3-(2-methylpropyl)anilino]-5-(trifluoromethyl)phenyl]phenol?

The InChIKey is APXZXYNQYJKAES-GUWVCMCQSA-N. The full InChI is InChI=1S/C32H32F4N6O2.C31H32ClFN6O2.C22H22ClFN6O2.C22H21F4N7O.C20H20FN7O/c1-20(2)12-23-14-26(39-27-15-24(13-25(17-27)32(34,35)36)21-4-3-5-28(43)16-21)7-6-22(23)18-38-41-31-37-19-29(33)30(40-31)42-8-10-44-11-9-42;1-20(2)12-23-14-26(36-27-15-24(13-25(32)17-27)21-4-3-5-28(40)16-21)7-6-22(23)18-35-38-31-34-19-29(33)30(37-31)39-8-10-41-11-9-39;1-31-20-12-18(27-17-4-2-3-16(23)11-17)6-5-15(20)13-26-29-22-25-14-19(24)21(28-22)30-7-9-32-10-8-30;1-14-9-17(30-16-4-2-3-15(10-16)22(24,25)26)11-27-19(14)13-29-32-21-28-12-18(23)20(31-21)33-5-7-34-8-6-33;21-18-14-23-20(26-19(18)28-8-10-29-11-9-28)27-24-13-16-6-7-17(12-22-16)25-15-4-2-1-3-5-15/h3-7,13-20,39,43H,8-12H2,1-2H3,(H,37,40,41);3-7,13-20,36,40H,8-12H2,1-2H3,(H,34,37,38);2-6,11-14,27H,7-10H2,1H3,(H,25,28,29);2-4,9-13,30H,5-8H2,1H3,(H,28,31,32);1-7,12-14,25H,8-11H2,(H,23,26,27)/b38-18+;35-18+;26-13+;29-13+;24-13+.

What are the key properties of N-[(E)-(5-anilino-2-pyridinyl)methylideneamino]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine;N-[(E)-[4-(3-chloroanilino)-2-methoxyphenyl]methylideneamino]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine;3-[3-chloro-5-[4-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-3-(2-methylpropyl)anilino]phenyl]phenol;5-fluoro-N-[(E)-[3-methyl-5-[3-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]-4-morpholin-4-ylpyrimidin-2-amine;3-[3-[4-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-3-(2-methylpropyl)anilino]-5-(trifluoromethyl)phenyl]phenol?

N-[(E)-(5-anilino-2-pyridinyl)methylideneamino]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine;N-[(E)-[4-(3-chloroanilino)-2-methoxyphenyl]methylideneamino]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine;3-[3-chloro-5-[4-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-3-(2-methylpropyl)anilino]phenyl]phenol;5-fluoro-N-[(E)-[3-methyl-5-[3-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]-4-morpholin-4-ylpyrimidin-2-amine;3-[3-[4-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-3-(2-methylpropyl)anilino]-5-(trifluoromethyl)phenyl]phenol has a molecular weight of 2509.51 g/mol, XLogP of 25.80, 37 rotatable bonds, 12 hydrogen bond donors, and 40 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(E)-(5-anilino-2-pyridinyl)methylideneamino]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine;N-[(E)-[4-(3-chloroanilino)-2-methoxyphenyl]methylideneamino]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine;3-[3-chloro-5-[4-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-3-(2-methylpropyl)anilino]phenyl]phenol;5-fluoro-N-[(E)-[3-methyl-5-[3-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]-4-morpholin-4-ylpyrimidin-2-amine;3-[3-[4-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-3-(2-methylpropyl)anilino]-5-(trifluoromethyl)phenyl]phenol is sourced from PubChem (CID 172920574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).