N-(3-chlorophenyl)-4-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)methyliminomethyl]-3-methoxyaniline;6-[[5-fluoro-4-(3-methylmorpholin-4-yl)pyrimidin-2-yl]methyliminomethyl]-N-[3-(trifluoromethyl)phenyl]pyridin-3-amine;6-[(5-fluoro-4-methyl-6-morpholin-4-ylpyrimidin-2-yl)methyliminomethyl]-N-[3-(trifluoromethyl)phenyl]pyridin-3-amine;6-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)methyliminomethyl]-5-methyl-N-[3-(trifluoromethyl)phenyl]pyridin-3-amine

C92H89ClF13N23O5 — CID 158499766

About N-(3-chlorophenyl)-4-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)methyliminomethyl]-3-methoxyaniline;6-[[5-fluoro-4-(3-methylmorpholin-4-yl)pyrimidin-2-yl]methyliminomethyl]-N-[3-(trifluoromethyl)phenyl]pyridin-3-amine;6-[(5-fluoro-4-methyl-6-morpholin-4-ylpyrimidin-2-yl)methyliminomethyl]-N-[3-(trifluoromethyl)phenyl]pyridin-3-amine;6-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)methyliminomethyl]-5-methyl-N-[3-(trifluoromethyl)phenyl]pyridin-3-amine

N-(3-chlorophenyl)-4-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)methyliminomethyl]-3-methoxyaniline;6-[[5-fluoro-4-(3-methylmorpholin-4-yl)pyrimidin-2-yl]methyliminomethyl]-N-[3-(trifluoromethyl)phenyl]pyridin-3-amine;6-[(5-fluoro-4-methyl-6-morpholin-4-ylpyrimidin-2-yl)methyliminomethyl]-N-[3-(trifluoromethyl)phenyl]pyridin-3-amine;6-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)methyliminomethyl]-5-methyl-N-[3-(trifluoromethyl)phenyl]pyridin-3-amine (PubChem CID 158499766) has the molecular formula C92H89ClF13N23O5 and a molecular weight of 1879.31 g/mol. Its IUPAC name is N-(3-chlorophenyl)-4-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)methyliminomethyl]-3-methoxyaniline;6-[[5-fluoro-4-(3-methylmorpholin-4-yl)pyrimidin-2-yl]methyliminomethyl]-N-[3-(trifluoromethyl)phenyl]pyridin-3-amine;6-[(5-fluoro-4-methyl-6-morpholin-4-ylpyrimidin-2-yl)methyliminomethyl]-N-[3-(trifluoromethyl)phenyl]pyridin-3-amine;6-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)methyliminomethyl]-5-methyl-N-[3-(trifluoromethyl)phenyl]pyridin-3-amine.

Molecular Properties

• Compound Name: N-(3-chlorophenyl)-4-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)methyliminomethyl]-3-methoxyaniline;6-[[5-fluoro-4-(3-methylmorpholin-4-yl)pyrimidin-2-yl]methyliminomethyl]-N-[3-(trifluoromethyl)phenyl]pyridin-3-amine;6-[(5-fluoro-4-methyl-6-morpholin-4-ylpyrimidin-2-yl)methyliminomethyl]-N-[3-(trifluoromethyl)phenyl]pyridin-3-amine;6-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)methyliminomethyl]-5-methyl-N-[3-(trifluoromethyl)phenyl]pyridin-3-amine
• PubChem CID: 158499766
• Molecular Formula: C92H89ClF13N23O5
• Molecular Weight: 1879.31 g/mol
• Exact Mass: 1877.69
• IUPAC Name: N-(3-chlorophenyl)-4-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)methyliminomethyl]-3-methoxyaniline;6-[[5-fluoro-4-(3-methylmorpholin-4-yl)pyrimidin-2-yl]methyliminomethyl]-N-[3-(trifluoromethyl)phenyl]pyridin-3-amine;6-[(5-fluoro-4-methyl-6-morpholin-4-ylpyrimidin-2-yl)methyliminomethyl]-N-[3-(trifluoromethyl)phenyl]pyridin-3-amine;6-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)methyliminomethyl]-5-methyl-N-[3-(trifluoromethyl)phenyl]pyridin-3-amine
• SMILES: CC1COCCN1c1nc(C/N=C/c2ccc(Nc3cccc(C(F)(F)F)c3)cn2)ncc1F.COc1cc(Nc2cccc(Cl)c2)ccc1/C=N/Cc1ncc(F)c(N2CCOCC2)n1.Cc1cc(Nc2cccc(C(F)(F)F)c2)cnc1/C=N/Cc1ncc(F)c(N2CCOCC2)n1.Cc1nc(C/N=C/c2ccc(Nc3cccc(C(F)(F)F)c3)cn2)nc(N2CCOCC2)c1F
• InChI: InChI=1S/C23H23ClFN5O2.3C23H22F4N6O/c1-31-21-12-19(28-18-4-2-3-17(24)11-18)6-5-16(21)13-26-15-22-27-14-20(25)23(29-22)30-7-9-32-10-8-30;1-15-9-18(31-17-4-2-3-16(10-17)23(25,26)27)11-29-20(15)13-28-14-21-30-12-19(24)22(32-21)33-5-7-34-8-6-33;1-15-21(24)22(33-7-9-34-10-8-33)32-20(30-15)14-28-12-18-5-6-19(13-29-18)31-17-4-2-3-16(11-17)23(25,26)27;1-15-14-34-8-7-33(15)22-20(24)12-30-21(32-22)13-28-10-18-5-6-19(11-29-18)31-17-4-2-3-16(9-17)23(25,26)27/h2-6,11-14,28H,7-10,15H2,1H3;2-4,9-13,31H,5-8,14H2,1H3;2-6,11-13,31H,7-10,14H2,1H3;2-6,9-12,15,31H,7-8,13-14H2,1H3/b26-13+;28-13+;28-12+;28-10+
• InChIKey: HJSZOVJXJRXOOG-SZVVXUJASA-N
• XLogP: 18.17
• TPSA: 298.46 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 28
• Rotatable Bonds: 25
• Heavy Atoms: 134
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1879.31
LogP ≤ 5	18.17
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	28

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-(3-chlorophenyl)-4-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)methyliminomethyl]-3-methoxyaniline;6-[[5-fluoro-4-(3-methylmorpholin-4-yl)pyrimidin-2-yl]methyliminomethyl]-N-[3-(trifluoromethyl)phenyl]pyridin-3-amine;6-[(5-fluoro-4-methyl-6-morpholin-4-ylpyrimidin-2-yl)methyliminomethyl]-N-[3-(trifluoromethyl)phenyl]pyridin-3-amine;6-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)methyliminomethyl]-5-methyl-N-[3-(trifluoromethyl)phenyl]pyridin-3-amine?

The IUPAC name of N-(3-chlorophenyl)-4-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)methyliminomethyl]-3-methoxyaniline;6-[[5-fluoro-4-(3-methylmorpholin-4-yl)pyrimidin-2-yl]methyliminomethyl]-N-[3-(trifluoromethyl)phenyl]pyridin-3-amine;6-[(5-fluoro-4-methyl-6-morpholin-4-ylpyrimidin-2-yl)methyliminomethyl]-N-[3-(trifluoromethyl)phenyl]pyridin-3-amine;6-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)methyliminomethyl]-5-methyl-N-[3-(trifluoromethyl)phenyl]pyridin-3-amine (CID 158499766) is N-(3-chlorophenyl)-4-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)methyliminomethyl]-3-methoxyaniline;6-[[5-fluoro-4-(3-methylmorpholin-4-yl)pyrimidin-2-yl]methyliminomethyl]-N-[3-(trifluoromethyl)phenyl]pyridin-3-amine;6-[(5-fluoro-4-methyl-6-morpholin-4-ylpyrimidin-2-yl)methyliminomethyl]-N-[3-(trifluoromethyl)phenyl]pyridin-3-amine;6-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)methyliminomethyl]-5-methyl-N-[3-(trifluoromethyl)phenyl]pyridin-3-amine.

What is the SMILES notation for N-(3-chlorophenyl)-4-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)methyliminomethyl]-3-methoxyaniline;6-[[5-fluoro-4-(3-methylmorpholin-4-yl)pyrimidin-2-yl]methyliminomethyl]-N-[3-(trifluoromethyl)phenyl]pyridin-3-amine;6-[(5-fluoro-4-methyl-6-morpholin-4-ylpyrimidin-2-yl)methyliminomethyl]-N-[3-(trifluoromethyl)phenyl]pyridin-3-amine;6-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)methyliminomethyl]-5-methyl-N-[3-(trifluoromethyl)phenyl]pyridin-3-amine?

The canonical SMILES for N-(3-chlorophenyl)-4-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)methyliminomethyl]-3-methoxyaniline;6-[[5-fluoro-4-(3-methylmorpholin-4-yl)pyrimidin-2-yl]methyliminomethyl]-N-[3-(trifluoromethyl)phenyl]pyridin-3-amine;6-[(5-fluoro-4-methyl-6-morpholin-4-ylpyrimidin-2-yl)methyliminomethyl]-N-[3-(trifluoromethyl)phenyl]pyridin-3-amine;6-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)methyliminomethyl]-5-methyl-N-[3-(trifluoromethyl)phenyl]pyridin-3-amine is CC1COCCN1c1nc(C/N=C/c2ccc(Nc3cccc(C(F)(F)F)c3)cn2)ncc1F.COc1cc(Nc2cccc(Cl)c2)ccc1/C=N/Cc1ncc(F)c(N2CCOCC2)n1.Cc1cc(Nc2cccc(C(F)(F)F)c2)cnc1/C=N/Cc1ncc(F)c(N2CCOCC2)n1.Cc1nc(C/N=C/c2ccc(Nc3cccc(C(F)(F)F)c3)cn2)nc(N2CCOCC2)c1F.

What is the InChIKey of N-(3-chlorophenyl)-4-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)methyliminomethyl]-3-methoxyaniline;6-[[5-fluoro-4-(3-methylmorpholin-4-yl)pyrimidin-2-yl]methyliminomethyl]-N-[3-(trifluoromethyl)phenyl]pyridin-3-amine;6-[(5-fluoro-4-methyl-6-morpholin-4-ylpyrimidin-2-yl)methyliminomethyl]-N-[3-(trifluoromethyl)phenyl]pyridin-3-amine;6-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)methyliminomethyl]-5-methyl-N-[3-(trifluoromethyl)phenyl]pyridin-3-amine?

The InChIKey is HJSZOVJXJRXOOG-SZVVXUJASA-N. The full InChI is InChI=1S/C23H23ClFN5O2.3C23H22F4N6O/c1-31-21-12-19(28-18-4-2-3-17(24)11-18)6-5-16(21)13-26-15-22-27-14-20(25)23(29-22)30-7-9-32-10-8-30;1-15-9-18(31-17-4-2-3-16(10-17)23(25,26)27)11-29-20(15)13-28-14-21-30-12-19(24)22(32-21)33-5-7-34-8-6-33;1-15-21(24)22(33-7-9-34-10-8-33)32-20(30-15)14-28-12-18-5-6-19(13-29-18)31-17-4-2-3-16(11-17)23(25,26)27;1-15-14-34-8-7-33(15)22-20(24)12-30-21(32-22)13-28-10-18-5-6-19(11-29-18)31-17-4-2-3-16(9-17)23(25,26)27/h2-6,11-14,28H,7-10,15H2,1H3;2-4,9-13,31H,5-8,14H2,1H3;2-6,11-13,31H,7-10,14H2,1H3;2-6,9-12,15,31H,7-8,13-14H2,1H3/b26-13+;28-13+;28-12+;28-10+.

What are the key properties of N-(3-chlorophenyl)-4-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)methyliminomethyl]-3-methoxyaniline;6-[[5-fluoro-4-(3-methylmorpholin-4-yl)pyrimidin-2-yl]methyliminomethyl]-N-[3-(trifluoromethyl)phenyl]pyridin-3-amine;6-[(5-fluoro-4-methyl-6-morpholin-4-ylpyrimidin-2-yl)methyliminomethyl]-N-[3-(trifluoromethyl)phenyl]pyridin-3-amine;6-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)methyliminomethyl]-5-methyl-N-[3-(trifluoromethyl)phenyl]pyridin-3-amine?

N-(3-chlorophenyl)-4-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)methyliminomethyl]-3-methoxyaniline;6-[[5-fluoro-4-(3-methylmorpholin-4-yl)pyrimidin-2-yl]methyliminomethyl]-N-[3-(trifluoromethyl)phenyl]pyridin-3-amine;6-[(5-fluoro-4-methyl-6-morpholin-4-ylpyrimidin-2-yl)methyliminomethyl]-N-[3-(trifluoromethyl)phenyl]pyridin-3-amine;6-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)methyliminomethyl]-5-methyl-N-[3-(trifluoromethyl)phenyl]pyridin-3-amine has a molecular weight of 1879.31 g/mol, XLogP of 18.17, 25 rotatable bonds, 4 hydrogen bond donors, and 28 hydrogen bond acceptors.

Where does this data come from?

All data for N-(3-chlorophenyl)-4-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)methyliminomethyl]-3-methoxyaniline;6-[[5-fluoro-4-(3-methylmorpholin-4-yl)pyrimidin-2-yl]methyliminomethyl]-N-[3-(trifluoromethyl)phenyl]pyridin-3-amine;6-[(5-fluoro-4-methyl-6-morpholin-4-ylpyrimidin-2-yl)methyliminomethyl]-N-[3-(trifluoromethyl)phenyl]pyridin-3-amine;6-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)methyliminomethyl]-5-methyl-N-[3-(trifluoromethyl)phenyl]pyridin-3-amine is sourced from PubChem (CID 158499766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).