N-[(E)-[5-[3-chloro-5-(3-methylpyrrolidin-2-yl)anilino]-2-pyridinyl]methylideneamino]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine;5-fluoro-4-morpholin-4-yl-N-[(E)-[5-(3-pyrrolidin-1-ylanilino)-2-pyridinyl]methylideneamino]pyrimidin-2-amine;5-fluoro-4-morpholin-4-yl-N-[(E)-[5-(3-pyrrolidin-2-ylanilino)-2-pyridinyl]methylideneamino]pyrimidin-2-amine;5-fluoro-4-morpholin-4-yl-N-[(E)-[5-[3-pyrrolidin-1-yl-5-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]pyrimidin-2-amine;5-fluoro-4-morpholin-4-yl-N-[(E)-[5-[3-pyrrolidin-2-yl-5-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]pyrimidin-2-amine

C123H134ClF11N40O5 — CID 172959180

About N-[(E)-[5-[3-chloro-5-(3-methylpyrrolidin-2-yl)anilino]-2-pyridinyl]methylideneamino]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine;5-fluoro-4-morpholin-4-yl-N-[(E)-[5-(3-pyrrolidin-1-ylanilino)-2-pyridinyl]methylideneamino]pyrimidin-2-amine;5-fluoro-4-morpholin-4-yl-N-[(E)-[5-(3-pyrrolidin-2-ylanilino)-2-pyridinyl]methylideneamino]pyrimidin-2-amine;5-fluoro-4-morpholin-4-yl-N-[(E)-[5-[3-pyrrolidin-1-yl-5-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]pyrimidin-2-amine;5-fluoro-4-morpholin-4-yl-N-[(E)-[5-[3-pyrrolidin-2-yl-5-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]pyrimidin-2-amine

N-[(E)-[5-[3-chloro-5-(3-methylpyrrolidin-2-yl)anilino]-2-pyridinyl]methylideneamino]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine;5-fluoro-4-morpholin-4-yl-N-[(E)-[5-(3-pyrrolidin-1-ylanilino)-2-pyridinyl]methylideneamino]pyrimidin-2-amine;5-fluoro-4-morpholin-4-yl-N-[(E)-[5-(3-pyrrolidin-2-ylanilino)-2-pyridinyl]methylideneamino]pyrimidin-2-amine;5-fluoro-4-morpholin-4-yl-N-[(E)-[5-[3-pyrrolidin-1-yl-5-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]pyrimidin-2-amine;5-fluoro-4-morpholin-4-yl-N-[(E)-[5-[3-pyrrolidin-2-yl-5-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]pyrimidin-2-amine (PubChem CID 172959180) has the molecular formula C123H134ClF11N40O5 and a molecular weight of 2497.13 g/mol. Its IUPAC name is N-[(E)-[5-[3-chloro-5-(3-methylpyrrolidin-2-yl)anilino]-2-pyridinyl]methylideneamino]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine;5-fluoro-4-morpholin-4-yl-N-[(E)-[5-(3-pyrrolidin-1-ylanilino)-2-pyridinyl]methylideneamino]pyrimidin-2-amine;5-fluoro-4-morpholin-4-yl-N-[(E)-[5-(3-pyrrolidin-2-ylanilino)-2-pyridinyl]methylideneamino]pyrimidin-2-amine;5-fluoro-4-morpholin-4-yl-N-[(E)-[5-[3-pyrrolidin-1-yl-5-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]pyrimidin-2-amine;5-fluoro-4-morpholin-4-yl-N-[(E)-[5-[3-pyrrolidin-2-yl-5-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]pyrimidin-2-amine.

Molecular Properties

• Compound Name: N-[(E)-[5-[3-chloro-5-(3-methylpyrrolidin-2-yl)anilino]-2-pyridinyl]methylideneamino]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine;5-fluoro-4-morpholin-4-yl-N-[(E)-[5-(3-pyrrolidin-1-ylanilino)-2-pyridinyl]methylideneamino]pyrimidin-2-amine;5-fluoro-4-morpholin-4-yl-N-[(E)-[5-(3-pyrrolidin-2-ylanilino)-2-pyridinyl]methylideneamino]pyrimidin-2-amine;5-fluoro-4-morpholin-4-yl-N-[(E)-[5-[3-pyrrolidin-1-yl-5-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]pyrimidin-2-amine;5-fluoro-4-morpholin-4-yl-N-[(E)-[5-[3-pyrrolidin-2-yl-5-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]pyrimidin-2-amine
• PubChem CID: 172959180
• Molecular Formula: C123H134ClF11N40O5
• Molecular Weight: 2497.13 g/mol
• Exact Mass: 2495.10
• IUPAC Name: N-[(E)-[5-[3-chloro-5-(3-methylpyrrolidin-2-yl)anilino]-2-pyridinyl]methylideneamino]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine;5-fluoro-4-morpholin-4-yl-N-[(E)-[5-(3-pyrrolidin-1-ylanilino)-2-pyridinyl]methylideneamino]pyrimidin-2-amine;5-fluoro-4-morpholin-4-yl-N-[(E)-[5-(3-pyrrolidin-2-ylanilino)-2-pyridinyl]methylideneamino]pyrimidin-2-amine;5-fluoro-4-morpholin-4-yl-N-[(E)-[5-[3-pyrrolidin-1-yl-5-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]pyrimidin-2-amine;5-fluoro-4-morpholin-4-yl-N-[(E)-[5-[3-pyrrolidin-2-yl-5-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]pyrimidin-2-amine
• SMILES: CC1CCNC1c1cc(Cl)cc(Nc2ccc(/C=N/Nc3ncc(F)c(N4CCOCC4)n3)nc2)c1.Fc1cnc(N/N=C/c2ccc(Nc3cc(C4CCCN4)cc(C(F)(F)F)c3)cn2)nc1N1CCOCC1.Fc1cnc(N/N=C/c2ccc(Nc3cc(N4CCCC4)cc(C(F)(F)F)c3)cn2)nc1N1CCOCC1.Fc1cnc(N/N=C/c2ccc(Nc3cccc(C4CCCN4)c3)cn2)nc1N1CCOCC1.Fc1cnc(N/N=C/c2ccc(Nc3cccc(N4CCCC4)c3)cn2)nc1N1CCOCC1
• InChI: InChI=1S/C25H28ClFN8O.2C25H26F4N8O.2C24H27FN8O/c1-16-4-5-28-23(16)17-10-18(26)12-21(11-17)32-20-3-2-19(29-13-20)14-31-34-25-30-15-22(27)24(33-25)35-6-8-36-9-7-35;26-21-15-32-24(35-23(21)37-6-8-38-9-7-37)36-33-14-18-3-4-19(13-31-18)34-20-11-16(22-2-1-5-30-22)10-17(12-20)25(27,28)29;26-22-16-31-24(34-23(22)37-7-9-38-10-8-37)35-32-15-18-3-4-19(14-30-18)33-20-11-17(25(27,28)29)12-21(13-20)36-5-1-2-6-36;25-21-16-28-24(31-23(21)33-9-11-34-12-10-33)32-29-15-19-6-7-20(14-27-19)30-18-4-1-3-17(13-18)22-5-2-8-26-22;25-22-17-27-24(30-23(22)33-10-12-34-13-11-33)31-28-16-19-6-7-20(15-26-19)29-18-4-3-5-21(14-18)32-8-1-2-9-32/h2-3,10-16,23,28,32H,4-9H2,1H3,(H,30,33,34);3-4,10-15,22,30,34H,1-2,5-9H2,(H,32,35,36);3-4,11-16,33H,1-2,5-10H2,(H,31,34,35);1,3-4,6-7,13-16,22,26,30H,2,5,8-12H2,(H,28,31,32);3-7,14-17,29H,1-2,8-13H2,(H,27,30,31)/b31-14+;33-14+;32-15+;29-15+;28-16+
• InChIKey: YMHXIDVBKQRTNE-GWTFJUNPSA-N
• XLogP: 20.60
• TPSA: 480.37 Ų
• H-Bond Donors: 13
• H-Bond Acceptors: 45
• Rotatable Bonds: 35
• Heavy Atoms: 180
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2497.13
LogP ≤ 5	20.60
H-Bond Donors ≤ 5	13
H-Bond Acceptors ≤ 10	45

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-[3-chloro-5-(3-methylpyrrolidin-2-yl)anilino]-2-pyridinyl]methylideneamino]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine;5-fluoro-4-morpholin-4-yl-N-[(E)-[5-(3-pyrrolidin-1-ylanilino)-2-pyridinyl]methylideneamino]pyrimidin-2-amine;5-fluoro-4-morpholin-4-yl-N-[(E)-[5-(3-pyrrolidin-2-ylanilino)-2-pyridinyl]methylideneamino]pyrimidin-2-amine;5-fluoro-4-morpholin-4-yl-N-[(E)-[5-[3-pyrrolidin-1-yl-5-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]pyrimidin-2-amine;5-fluoro-4-morpholin-4-yl-N-[(E)-[5-[3-pyrrolidin-2-yl-5-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]pyrimidin-2-amine?

The IUPAC name of N-[(E)-[5-[3-chloro-5-(3-methylpyrrolidin-2-yl)anilino]-2-pyridinyl]methylideneamino]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine;5-fluoro-4-morpholin-4-yl-N-[(E)-[5-(3-pyrrolidin-1-ylanilino)-2-pyridinyl]methylideneamino]pyrimidin-2-amine;5-fluoro-4-morpholin-4-yl-N-[(E)-[5-(3-pyrrolidin-2-ylanilino)-2-pyridinyl]methylideneamino]pyrimidin-2-amine;5-fluoro-4-morpholin-4-yl-N-[(E)-[5-[3-pyrrolidin-1-yl-5-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]pyrimidin-2-amine;5-fluoro-4-morpholin-4-yl-N-[(E)-[5-[3-pyrrolidin-2-yl-5-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]pyrimidin-2-amine (CID 172959180) is N-[(E)-[5-[3-chloro-5-(3-methylpyrrolidin-2-yl)anilino]-2-pyridinyl]methylideneamino]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine;5-fluoro-4-morpholin-4-yl-N-[(E)-[5-(3-pyrrolidin-1-ylanilino)-2-pyridinyl]methylideneamino]pyrimidin-2-amine;5-fluoro-4-morpholin-4-yl-N-[(E)-[5-(3-pyrrolidin-2-ylanilino)-2-pyridinyl]methylideneamino]pyrimidin-2-amine;5-fluoro-4-morpholin-4-yl-N-[(E)-[5-[3-pyrrolidin-1-yl-5-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]pyrimidin-2-amine;5-fluoro-4-morpholin-4-yl-N-[(E)-[5-[3-pyrrolidin-2-yl-5-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]pyrimidin-2-amine.

What is the SMILES notation for N-[(E)-[5-[3-chloro-5-(3-methylpyrrolidin-2-yl)anilino]-2-pyridinyl]methylideneamino]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine;5-fluoro-4-morpholin-4-yl-N-[(E)-[5-(3-pyrrolidin-1-ylanilino)-2-pyridinyl]methylideneamino]pyrimidin-2-amine;5-fluoro-4-morpholin-4-yl-N-[(E)-[5-(3-pyrrolidin-2-ylanilino)-2-pyridinyl]methylideneamino]pyrimidin-2-amine;5-fluoro-4-morpholin-4-yl-N-[(E)-[5-[3-pyrrolidin-1-yl-5-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]pyrimidin-2-amine;5-fluoro-4-morpholin-4-yl-N-[(E)-[5-[3-pyrrolidin-2-yl-5-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]pyrimidin-2-amine?

The canonical SMILES for N-[(E)-[5-[3-chloro-5-(3-methylpyrrolidin-2-yl)anilino]-2-pyridinyl]methylideneamino]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine;5-fluoro-4-morpholin-4-yl-N-[(E)-[5-(3-pyrrolidin-1-ylanilino)-2-pyridinyl]methylideneamino]pyrimidin-2-amine;5-fluoro-4-morpholin-4-yl-N-[(E)-[5-(3-pyrrolidin-2-ylanilino)-2-pyridinyl]methylideneamino]pyrimidin-2-amine;5-fluoro-4-morpholin-4-yl-N-[(E)-[5-[3-pyrrolidin-1-yl-5-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]pyrimidin-2-amine;5-fluoro-4-morpholin-4-yl-N-[(E)-[5-[3-pyrrolidin-2-yl-5-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]pyrimidin-2-amine is CC1CCNC1c1cc(Cl)cc(Nc2ccc(/C=N/Nc3ncc(F)c(N4CCOCC4)n3)nc2)c1.Fc1cnc(N/N=C/c2ccc(Nc3cc(C4CCCN4)cc(C(F)(F)F)c3)cn2)nc1N1CCOCC1.Fc1cnc(N/N=C/c2ccc(Nc3cc(N4CCCC4)cc(C(F)(F)F)c3)cn2)nc1N1CCOCC1.Fc1cnc(N/N=C/c2ccc(Nc3cccc(C4CCCN4)c3)cn2)nc1N1CCOCC1.Fc1cnc(N/N=C/c2ccc(Nc3cccc(N4CCCC4)c3)cn2)nc1N1CCOCC1.

What is the InChIKey of N-[(E)-[5-[3-chloro-5-(3-methylpyrrolidin-2-yl)anilino]-2-pyridinyl]methylideneamino]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine;5-fluoro-4-morpholin-4-yl-N-[(E)-[5-(3-pyrrolidin-1-ylanilino)-2-pyridinyl]methylideneamino]pyrimidin-2-amine;5-fluoro-4-morpholin-4-yl-N-[(E)-[5-(3-pyrrolidin-2-ylanilino)-2-pyridinyl]methylideneamino]pyrimidin-2-amine;5-fluoro-4-morpholin-4-yl-N-[(E)-[5-[3-pyrrolidin-1-yl-5-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]pyrimidin-2-amine;5-fluoro-4-morpholin-4-yl-N-[(E)-[5-[3-pyrrolidin-2-yl-5-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]pyrimidin-2-amine?

The InChIKey is YMHXIDVBKQRTNE-GWTFJUNPSA-N. The full InChI is InChI=1S/C25H28ClFN8O.2C25H26F4N8O.2C24H27FN8O/c1-16-4-5-28-23(16)17-10-18(26)12-21(11-17)32-20-3-2-19(29-13-20)14-31-34-25-30-15-22(27)24(33-25)35-6-8-36-9-7-35;26-21-15-32-24(35-23(21)37-6-8-38-9-7-37)36-33-14-18-3-4-19(13-31-18)34-20-11-16(22-2-1-5-30-22)10-17(12-20)25(27,28)29;26-22-16-31-24(34-23(22)37-7-9-38-10-8-37)35-32-15-18-3-4-19(14-30-18)33-20-11-17(25(27,28)29)12-21(13-20)36-5-1-2-6-36;25-21-16-28-24(31-23(21)33-9-11-34-12-10-33)32-29-15-19-6-7-20(14-27-19)30-18-4-1-3-17(13-18)22-5-2-8-26-22;25-22-17-27-24(30-23(22)33-10-12-34-13-11-33)31-28-16-19-6-7-20(15-26-19)29-18-4-3-5-21(14-18)32-8-1-2-9-32/h2-3,10-16,23,28,32H,4-9H2,1H3,(H,30,33,34);3-4,10-15,22,30,34H,1-2,5-9H2,(H,32,35,36);3-4,11-16,33H,1-2,5-10H2,(H,31,34,35);1,3-4,6-7,13-16,22,26,30H,2,5,8-12H2,(H,28,31,32);3-7,14-17,29H,1-2,8-13H2,(H,27,30,31)/b31-14+;33-14+;32-15+;29-15+;28-16+.

What are the key properties of N-[(E)-[5-[3-chloro-5-(3-methylpyrrolidin-2-yl)anilino]-2-pyridinyl]methylideneamino]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine;5-fluoro-4-morpholin-4-yl-N-[(E)-[5-(3-pyrrolidin-1-ylanilino)-2-pyridinyl]methylideneamino]pyrimidin-2-amine;5-fluoro-4-morpholin-4-yl-N-[(E)-[5-(3-pyrrolidin-2-ylanilino)-2-pyridinyl]methylideneamino]pyrimidin-2-amine;5-fluoro-4-morpholin-4-yl-N-[(E)-[5-[3-pyrrolidin-1-yl-5-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]pyrimidin-2-amine;5-fluoro-4-morpholin-4-yl-N-[(E)-[5-[3-pyrrolidin-2-yl-5-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]pyrimidin-2-amine?

N-[(E)-[5-[3-chloro-5-(3-methylpyrrolidin-2-yl)anilino]-2-pyridinyl]methylideneamino]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine;5-fluoro-4-morpholin-4-yl-N-[(E)-[5-(3-pyrrolidin-1-ylanilino)-2-pyridinyl]methylideneamino]pyrimidin-2-amine;5-fluoro-4-morpholin-4-yl-N-[(E)-[5-(3-pyrrolidin-2-ylanilino)-2-pyridinyl]methylideneamino]pyrimidin-2-amine;5-fluoro-4-morpholin-4-yl-N-[(E)-[5-[3-pyrrolidin-1-yl-5-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]pyrimidin-2-amine;5-fluoro-4-morpholin-4-yl-N-[(E)-[5-[3-pyrrolidin-2-yl-5-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]pyrimidin-2-amine has a molecular weight of 2497.13 g/mol, XLogP of 20.60, 35 rotatable bonds, 13 hydrogen bond donors, and 45 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(E)-[5-[3-chloro-5-(3-methylpyrrolidin-2-yl)anilino]-2-pyridinyl]methylideneamino]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine;5-fluoro-4-morpholin-4-yl-N-[(E)-[5-(3-pyrrolidin-1-ylanilino)-2-pyridinyl]methylideneamino]pyrimidin-2-amine;5-fluoro-4-morpholin-4-yl-N-[(E)-[5-(3-pyrrolidin-2-ylanilino)-2-pyridinyl]methylideneamino]pyrimidin-2-amine;5-fluoro-4-morpholin-4-yl-N-[(E)-[5-[3-pyrrolidin-1-yl-5-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]pyrimidin-2-amine;5-fluoro-4-morpholin-4-yl-N-[(E)-[5-[3-pyrrolidin-2-yl-5-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]pyrimidin-2-amine is sourced from PubChem (CID 172959180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).