N-[(E)-[5-[3-chloro-5-(3-methylfuran-2-yl)anilino]-2-pyridinyl]methylideneamino]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine;N-[(E)-[5-[3-chloro-5-(2-methyloxolan-3-yl)anilino]-2-pyridinyl]methylideneamino]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine;5-fluoro-N-[(E)-[5-[3-(furan-2-yl)-5-methylanilino]-2-pyridinyl]methylideneamino]-4-morpholin-4-ylpyrimidin-2-amine;5-fluoro-N-[(E)-[5-[3-(furan-3-yl)-5-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]-4-morpholin-4-ylpyrimidin-2-amine;5-fluoro-N-[(E)-[5-[3-methyl-5-(thiolan-3-yl)anilino]-2-pyridinyl]methylideneamino]-4-morpholin-4-ylpyrimidin-2-amine

C125H123Cl2F8N35O9S — CID 172928267

About N-[(E)-[5-[3-chloro-5-(3-methylfuran-2-yl)anilino]-2-pyridinyl]methylideneamino]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine;N-[(E)-[5-[3-chloro-5-(2-methyloxolan-3-yl)anilino]-2-pyridinyl]methylideneamino]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine;5-fluoro-N-[(E)-[5-[3-(furan-2-yl)-5-methylanilino]-2-pyridinyl]methylideneamino]-4-morpholin-4-ylpyrimidin-2-amine;5-fluoro-N-[(E)-[5-[3-(furan-3-yl)-5-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]-4-morpholin-4-ylpyrimidin-2-amine;5-fluoro-N-[(E)-[5-[3-methyl-5-(thiolan-3-yl)anilino]-2-pyridinyl]methylideneamino]-4-morpholin-4-ylpyrimidin-2-amine

N-[(E)-[5-[3-chloro-5-(3-methylfuran-2-yl)anilino]-2-pyridinyl]methylideneamino]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine;N-[(E)-[5-[3-chloro-5-(2-methyloxolan-3-yl)anilino]-2-pyridinyl]methylideneamino]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine;5-fluoro-N-[(E)-[5-[3-(furan-2-yl)-5-methylanilino]-2-pyridinyl]methylideneamino]-4-morpholin-4-ylpyrimidin-2-amine;5-fluoro-N-[(E)-[5-[3-(furan-3-yl)-5-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]-4-morpholin-4-ylpyrimidin-2-amine;5-fluoro-N-[(E)-[5-[3-methyl-5-(thiolan-3-yl)anilino]-2-pyridinyl]methylideneamino]-4-morpholin-4-ylpyrimidin-2-amine (PubChem CID 172928267) has the molecular formula C125H123Cl2F8N35O9S and a molecular weight of 2514.55 g/mol. Its IUPAC name is N-[(E)-[5-[3-chloro-5-(3-methylfuran-2-yl)anilino]-2-pyridinyl]methylideneamino]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine;N-[(E)-[5-[3-chloro-5-(2-methyloxolan-3-yl)anilino]-2-pyridinyl]methylideneamino]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine;5-fluoro-N-[(E)-[5-[3-(furan-2-yl)-5-methylanilino]-2-pyridinyl]methylideneamino]-4-morpholin-4-ylpyrimidin-2-amine;5-fluoro-N-[(E)-[5-[3-(furan-3-yl)-5-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]-4-morpholin-4-ylpyrimidin-2-amine;5-fluoro-N-[(E)-[5-[3-methyl-5-(thiolan-3-yl)anilino]-2-pyridinyl]methylideneamino]-4-morpholin-4-ylpyrimidin-2-amine.

Molecular Properties

• Compound Name: N-[(E)-[5-[3-chloro-5-(3-methylfuran-2-yl)anilino]-2-pyridinyl]methylideneamino]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine;N-[(E)-[5-[3-chloro-5-(2-methyloxolan-3-yl)anilino]-2-pyridinyl]methylideneamino]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine;5-fluoro-N-[(E)-[5-[3-(furan-2-yl)-5-methylanilino]-2-pyridinyl]methylideneamino]-4-morpholin-4-ylpyrimidin-2-amine;5-fluoro-N-[(E)-[5-[3-(furan-3-yl)-5-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]-4-morpholin-4-ylpyrimidin-2-amine;5-fluoro-N-[(E)-[5-[3-methyl-5-(thiolan-3-yl)anilino]-2-pyridinyl]methylideneamino]-4-morpholin-4-ylpyrimidin-2-amine
• PubChem CID: 172928267
• Molecular Formula: C125H123Cl2F8N35O9S
• Molecular Weight: 2514.55 g/mol
• Exact Mass: 2511.92
• IUPAC Name: N-[(E)-[5-[3-chloro-5-(3-methylfuran-2-yl)anilino]-2-pyridinyl]methylideneamino]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine;N-[(E)-[5-[3-chloro-5-(2-methyloxolan-3-yl)anilino]-2-pyridinyl]methylideneamino]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine;5-fluoro-N-[(E)-[5-[3-(furan-2-yl)-5-methylanilino]-2-pyridinyl]methylideneamino]-4-morpholin-4-ylpyrimidin-2-amine;5-fluoro-N-[(E)-[5-[3-(furan-3-yl)-5-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]-4-morpholin-4-ylpyrimidin-2-amine;5-fluoro-N-[(E)-[5-[3-methyl-5-(thiolan-3-yl)anilino]-2-pyridinyl]methylideneamino]-4-morpholin-4-ylpyrimidin-2-amine
• SMILES: CC1OCCC1c1cc(Cl)cc(Nc2ccc(/C=N/Nc3ncc(F)c(N4CCOCC4)n3)nc2)c1.Cc1cc(Nc2ccc(/C=N/Nc3ncc(F)c(N4CCOCC4)n3)nc2)cc(-c2ccco2)c1.Cc1cc(Nc2ccc(/C=N/Nc3ncc(F)c(N4CCOCC4)n3)nc2)cc(C2CCSC2)c1.Cc1ccoc1-c1cc(Cl)cc(Nc2ccc(/C=N/Nc3ncc(F)c(N4CCOCC4)n3)nc2)c1.Fc1cnc(N/N=C/c2ccc(Nc3cc(-c4ccoc4)cc(C(F)(F)F)c3)cn2)nc1N1CCOCC1
• InChI: InChI=1S/C25H27ClFN7O2.C25H23ClFN7O2.C25H21F4N7O2.C25H24FN7O2.C25H28FN7OS/c1-16-22(4-7-36-16)17-10-18(26)12-21(11-17)31-20-3-2-19(28-13-20)14-30-33-25-29-15-23(27)24(32-25)34-5-8-35-9-6-34;1-16-4-7-36-23(16)17-10-18(26)12-21(11-17)31-20-3-2-19(28-13-20)14-30-33-25-29-15-22(27)24(32-25)34-5-8-35-9-6-34;26-22-14-31-24(34-23(22)36-4-7-37-8-5-36)35-32-13-19-1-2-20(12-30-19)33-21-10-17(16-3-6-38-15-16)9-18(11-21)25(27,28)29;1-17-11-18(23-3-2-8-35-23)13-21(12-17)30-20-5-4-19(27-14-20)15-29-32-25-28-16-22(26)24(31-25)33-6-9-34-10-7-33;1-17-10-19(18-4-9-35-16-18)12-22(11-17)30-21-3-2-20(27-13-21)14-29-32-25-28-15-23(26)24(31-25)33-5-7-34-8-6-33/h2-3,10-16,22,31H,4-9H2,1H3,(H,29,32,33);2-4,7,10-15,31H,5-6,8-9H2,1H3,(H,29,32,33);1-3,6,9-15,33H,4-5,7-8H2,(H,31,34,35);2-5,8,11-16,30H,6-7,9-10H2,1H3,(H,28,31,32);2-3,10-15,18,30H,4-9,16H2,1H3,(H,28,31,32)/b2*30-14+;32-13+;29-15+;29-14+
• InChIKey: IXKUYUPBLNXGIW-DEFFBWOWSA-N
• XLogP: 24.33
• TPSA: 486.45 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 45
• Rotatable Bonds: 35
• Heavy Atoms: 180
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2514.55
LogP ≤ 5	24.33
H-Bond Donors ≤ 5	10
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-methylfuran-2-yl)anilino]-2-pyridinyl]methylideneamino]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine;N-[(E)-[5-[3-chloro-5-(2-methyloxolan-3-yl)anilino]-2-pyridinyl]methylideneamino]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine;5-fluoro-N-[(E)-[5-[3-(furan-2-yl)-5-methylanilino]-2-pyridinyl]methylideneamino]-4-morpholin-4-ylpyrimidin-2-amine;5-fluoro-N-[(E)-[5-[3-(furan-3-yl)-5-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]-4-morpholin-4-ylpyrimidin-2-amine;5-fluoro-N-[(E)-[5-[3-methyl-5-(thiolan-3-yl)anilino]-2-pyridinyl]methylideneamino]-4-morpholin-4-ylpyrimidin-2-amine?

The IUPAC name of N-[(E)-[5-[3-chloro-5-(3-methylfuran-2-yl)anilino]-2-pyridinyl]methylideneamino]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine;N-[(E)-[5-[3-chloro-5-(2-methyloxolan-3-yl)anilino]-2-pyridinyl]methylideneamino]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine;5-fluoro-N-[(E)-[5-[3-(furan-2-yl)-5-methylanilino]-2-pyridinyl]methylideneamino]-4-morpholin-4-ylpyrimidin-2-amine;5-fluoro-N-[(E)-[5-[3-(furan-3-yl)-5-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]-4-morpholin-4-ylpyrimidin-2-amine;5-fluoro-N-[(E)-[5-[3-methyl-5-(thiolan-3-yl)anilino]-2-pyridinyl]methylideneamino]-4-morpholin-4-ylpyrimidin-2-amine (CID 172928267) is N-[(E)-[5-[3-chloro-5-(3-methylfuran-2-yl)anilino]-2-pyridinyl]methylideneamino]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine;N-[(E)-[5-[3-chloro-5-(2-methyloxolan-3-yl)anilino]-2-pyridinyl]methylideneamino]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine;5-fluoro-N-[(E)-[5-[3-(furan-2-yl)-5-methylanilino]-2-pyridinyl]methylideneamino]-4-morpholin-4-ylpyrimidin-2-amine;5-fluoro-N-[(E)-[5-[3-(furan-3-yl)-5-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]-4-morpholin-4-ylpyrimidin-2-amine;5-fluoro-N-[(E)-[5-[3-methyl-5-(thiolan-3-yl)anilino]-2-pyridinyl]methylideneamino]-4-morpholin-4-ylpyrimidin-2-amine.

What is the SMILES notation for N-[(E)-[5-[3-chloro-5-(3-methylfuran-2-yl)anilino]-2-pyridinyl]methylideneamino]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine;N-[(E)-[5-[3-chloro-5-(2-methyloxolan-3-yl)anilino]-2-pyridinyl]methylideneamino]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine;5-fluoro-N-[(E)-[5-[3-(furan-2-yl)-5-methylanilino]-2-pyridinyl]methylideneamino]-4-morpholin-4-ylpyrimidin-2-amine;5-fluoro-N-[(E)-[5-[3-(furan-3-yl)-5-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]-4-morpholin-4-ylpyrimidin-2-amine;5-fluoro-N-[(E)-[5-[3-methyl-5-(thiolan-3-yl)anilino]-2-pyridinyl]methylideneamino]-4-morpholin-4-ylpyrimidin-2-amine?

The canonical SMILES for N-[(E)-[5-[3-chloro-5-(3-methylfuran-2-yl)anilino]-2-pyridinyl]methylideneamino]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine;N-[(E)-[5-[3-chloro-5-(2-methyloxolan-3-yl)anilino]-2-pyridinyl]methylideneamino]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine;5-fluoro-N-[(E)-[5-[3-(furan-2-yl)-5-methylanilino]-2-pyridinyl]methylideneamino]-4-morpholin-4-ylpyrimidin-2-amine;5-fluoro-N-[(E)-[5-[3-(furan-3-yl)-5-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]-4-morpholin-4-ylpyrimidin-2-amine;5-fluoro-N-[(E)-[5-[3-methyl-5-(thiolan-3-yl)anilino]-2-pyridinyl]methylideneamino]-4-morpholin-4-ylpyrimidin-2-amine is CC1OCCC1c1cc(Cl)cc(Nc2ccc(/C=N/Nc3ncc(F)c(N4CCOCC4)n3)nc2)c1.Cc1cc(Nc2ccc(/C=N/Nc3ncc(F)c(N4CCOCC4)n3)nc2)cc(-c2ccco2)c1.Cc1cc(Nc2ccc(/C=N/Nc3ncc(F)c(N4CCOCC4)n3)nc2)cc(C2CCSC2)c1.Cc1ccoc1-c1cc(Cl)cc(Nc2ccc(/C=N/Nc3ncc(F)c(N4CCOCC4)n3)nc2)c1.Fc1cnc(N/N=C/c2ccc(Nc3cc(-c4ccoc4)cc(C(F)(F)F)c3)cn2)nc1N1CCOCC1.

What is the InChIKey of N-[(E)-[5-[3-chloro-5-(3-methylfuran-2-yl)anilino]-2-pyridinyl]methylideneamino]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine;N-[(E)-[5-[3-chloro-5-(2-methyloxolan-3-yl)anilino]-2-pyridinyl]methylideneamino]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine;5-fluoro-N-[(E)-[5-[3-(furan-2-yl)-5-methylanilino]-2-pyridinyl]methylideneamino]-4-morpholin-4-ylpyrimidin-2-amine;5-fluoro-N-[(E)-[5-[3-(furan-3-yl)-5-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]-4-morpholin-4-ylpyrimidin-2-amine;5-fluoro-N-[(E)-[5-[3-methyl-5-(thiolan-3-yl)anilino]-2-pyridinyl]methylideneamino]-4-morpholin-4-ylpyrimidin-2-amine?

The InChIKey is IXKUYUPBLNXGIW-DEFFBWOWSA-N. The full InChI is InChI=1S/C25H27ClFN7O2.C25H23ClFN7O2.C25H21F4N7O2.C25H24FN7O2.C25H28FN7OS/c1-16-22(4-7-36-16)17-10-18(26)12-21(11-17)31-20-3-2-19(28-13-20)14-30-33-25-29-15-23(27)24(32-25)34-5-8-35-9-6-34;1-16-4-7-36-23(16)17-10-18(26)12-21(11-17)31-20-3-2-19(28-13-20)14-30-33-25-29-15-22(27)24(32-25)34-5-8-35-9-6-34;26-22-14-31-24(34-23(22)36-4-7-37-8-5-36)35-32-13-19-1-2-20(12-30-19)33-21-10-17(16-3-6-38-15-16)9-18(11-21)25(27,28)29;1-17-11-18(23-3-2-8-35-23)13-21(12-17)30-20-5-4-19(27-14-20)15-29-32-25-28-16-22(26)24(31-25)33-6-9-34-10-7-33;1-17-10-19(18-4-9-35-16-18)12-22(11-17)30-21-3-2-20(27-13-21)14-29-32-25-28-15-23(26)24(31-25)33-5-7-34-8-6-33/h2-3,10-16,22,31H,4-9H2,1H3,(H,29,32,33);2-4,7,10-15,31H,5-6,8-9H2,1H3,(H,29,32,33);1-3,6,9-15,33H,4-5,7-8H2,(H,31,34,35);2-5,8,11-16,30H,6-7,9-10H2,1H3,(H,28,31,32);2-3,10-15,18,30H,4-9,16H2,1H3,(H,28,31,32)/b2*30-14+;32-13+;29-15+;29-14+.

What are the key properties of N-[(E)-[5-[3-chloro-5-(3-methylfuran-2-yl)anilino]-2-pyridinyl]methylideneamino]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine;N-[(E)-[5-[3-chloro-5-(2-methyloxolan-3-yl)anilino]-2-pyridinyl]methylideneamino]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine;5-fluoro-N-[(E)-[5-[3-(furan-2-yl)-5-methylanilino]-2-pyridinyl]methylideneamino]-4-morpholin-4-ylpyrimidin-2-amine;5-fluoro-N-[(E)-[5-[3-(furan-3-yl)-5-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]-4-morpholin-4-ylpyrimidin-2-amine;5-fluoro-N-[(E)-[5-[3-methyl-5-(thiolan-3-yl)anilino]-2-pyridinyl]methylideneamino]-4-morpholin-4-ylpyrimidin-2-amine?

N-[(E)-[5-[3-chloro-5-(3-methylfuran-2-yl)anilino]-2-pyridinyl]methylideneamino]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine;N-[(E)-[5-[3-chloro-5-(2-methyloxolan-3-yl)anilino]-2-pyridinyl]methylideneamino]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine;5-fluoro-N-[(E)-[5-[3-(furan-2-yl)-5-methylanilino]-2-pyridinyl]methylideneamino]-4-morpholin-4-ylpyrimidin-2-amine;5-fluoro-N-[(E)-[5-[3-(furan-3-yl)-5-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]-4-morpholin-4-ylpyrimidin-2-amine;5-fluoro-N-[(E)-[5-[3-methyl-5-(thiolan-3-yl)anilino]-2-pyridinyl]methylideneamino]-4-morpholin-4-ylpyrimidin-2-amine has a molecular weight of 2514.55 g/mol, XLogP of 24.33, 35 rotatable bonds, 10 hydrogen bond donors, and 45 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(E)-[5-[3-chloro-5-(3-methylfuran-2-yl)anilino]-2-pyridinyl]methylideneamino]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine;N-[(E)-[5-[3-chloro-5-(2-methyloxolan-3-yl)anilino]-2-pyridinyl]methylideneamino]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine;5-fluoro-N-[(E)-[5-[3-(furan-2-yl)-5-methylanilino]-2-pyridinyl]methylideneamino]-4-morpholin-4-ylpyrimidin-2-amine;5-fluoro-N-[(E)-[5-[3-(furan-3-yl)-5-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]-4-morpholin-4-ylpyrimidin-2-amine;5-fluoro-N-[(E)-[5-[3-methyl-5-(thiolan-3-yl)anilino]-2-pyridinyl]methylideneamino]-4-morpholin-4-ylpyrimidin-2-amine is sourced from PubChem (CID 172928267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).