N-[(E)-(4-anilino-2-ethylphenyl)methylideneamino]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine;N-[(E)-[2-ethyl-4-[3-(trifluoromethyl)anilino]phenyl]methylideneamino]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine;N-[(E)-[6-ethyl-5-[3-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine;5-fluoro-N-[(E)-[2-methyl-4-[3-(trifluoromethyl)anilino]phenyl]methylideneamino]-4-morpholin-4-ylpyrimidin-2-amine;5-fluoro-N-[(E)-[6-methyl-5-[3-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]-4-morpholin-4-ylpyrimidin-2-amine

C115H115F17N32O5 — CID 172921712

IUPACN-[(E)-(4-anilino-2-ethylphenyl)methylideneamino]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine;N-[(E)-[2-ethyl-4-[3-(trifluoromethyl)anilino]phenyl]methylideneamino]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine;N-[(E)-[6-ethyl-5-[3-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine;5-fluoro-N-[(E)-[2-methyl-4-[3-(trifluoromethyl)anilino]phenyl]methylideneamino]-4-morpholin-4-ylpyrimidin-2-amine;5-fluoro-N-[(E)-[6-methyl-5-[3-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]-4-morpholin-4-ylpyrimidin-2-amine
SMILESCCc1cc(Nc2cccc(C(F)(F)F)c2)ccc1/C=N/Nc1ncc(F)c(N2CCOCC2)n1.CCc1cc(Nc2ccccc2)ccc1/C=N/Nc1ncc(F)c(N2CCOCC2)n1.CCc1nc(/C=N/Nc2ncc(F)c(N3CCOCC3)n2)ccc1Nc1cccc(C(F)(F)F)c1.Cc1cc(Nc2cccc(C(F)(F)F)c2)ccc1/C=N/Nc1ncc(F)c(N2CCOCC2)n1.Cc1nc(/C=N/Nc2ncc(F)c(N3CCOCC3)n2)ccc1Nc1cccc(C(F)(F)F)c1
InChIInChI=1S/C24H24F4N6O.C23H23F4N7O.C23H22F4N6O.C23H25FN6O.C22H21F4N7O/c1-2-16-12-20(31-19-5-3-4-18(13-19)24(26,27)28)7-6-17(16)14-30-33-23-29-15-21(25)22(32-23)34-8-10-35-11-9-34;1-2-19-20(30-16-5-3-4-15(12-16)23(25,26)27)7-6-17(31-19)13-29-33-22-28-14-18(24)21(32-22)34-8-10-35-11-9-34;1-15-11-19(30-18-4-2-3-17(12-18)23(25,26)27)6-5-16(15)13-29-32-22-28-14-20(24)21(31-22)33-7-9-34-10-8-33;1-2-17-14-20(27-19-6-4-3-5-7-19)9-8-18(17)15-26-29-23-25-16-21(24)22(28-23)30-10-12-31-13-11-30;1-14-19(30-16-4-2-3-15(11-16)22(24,25)26)6-5-17(29-14)12-28-32-21-27-13-18(23)20(31-21)33-7-9-34-10-8-33/h3-7,12-15,31H,2,8-11H2,1H3,(H,29,32,33);3-7,12-14,30H,2,8-11H2,1H3,(H,28,32,33);2-6,11-14,30H,7-10H2,1H3,(H,28,31,32);3-9,14-16,27H,2,10-13H2,1H3,(H,25,28,29);2-6,11-13,30H,7-10H2,1H3,(H,27,31,32)/b30-14+;2*29-13+;26-15+;28-12+
InChIKeyUIRUVNIRNHEUOO-ZPGKVKNYSA-N
MW2348.37 g/mol
LogP23.38
Rot. Bonds33

About N-[(E)-(4-anilino-2-ethylphenyl)methylideneamino]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine;N-[(E)-[2-ethyl-4-[3-(trifluoromethyl)anilino]phenyl]methylideneamino]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine;N-[(E)-[6-ethyl-5-[3-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine;5-fluoro-N-[(E)-[2-methyl-4-[3-(trifluoromethyl)anilino]phenyl]methylideneamino]-4-morpholin-4-ylpyrimidin-2-amine;5-fluoro-N-[(E)-[6-methyl-5-[3-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]-4-morpholin-4-ylpyrimidin-2-amine

N-[(E)-(4-anilino-2-ethylphenyl)methylideneamino]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine;N-[(E)-[2-ethyl-4-[3-(trifluoromethyl)anilino]phenyl]methylideneamino]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine;N-[(E)-[6-ethyl-5-[3-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine;5-fluoro-N-[(E)-[2-methyl-4-[3-(trifluoromethyl)anilino]phenyl]methylideneamino]-4-morpholin-4-ylpyrimidin-2-amine;5-fluoro-N-[(E)-[6-methyl-5-[3-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]-4-morpholin-4-ylpyrimidin-2-amine (PubChem CID 172921712) has the molecular formula C115H115F17N32O5 and a molecular weight of 2348.37 g/mol. Its IUPAC name is N-[(E)-(4-anilino-2-ethylphenyl)methylideneamino]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine;N-[(E)-[2-ethyl-4-[3-(trifluoromethyl)anilino]phenyl]methylideneamino]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine;N-[(E)-[6-ethyl-5-[3-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine;5-fluoro-N-[(E)-[2-methyl-4-[3-(trifluoromethyl)anilino]phenyl]methylideneamino]-4-morpholin-4-ylpyrimidin-2-amine;5-fluoro-N-[(E)-[6-methyl-5-[3-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]-4-morpholin-4-ylpyrimidin-2-amine.

Molecular Properties

Compound NameN-[(E)-(4-anilino-2-ethylphenyl)methylideneamino]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine;N-[(E)-[2-ethyl-4-[3-(trifluoromethyl)anilino]phenyl]methylideneamino]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine;N-[(E)-[6-ethyl-5-[3-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine;5-fluoro-N-[(E)-[2-methyl-4-[3-(trifluoromethyl)anilino]phenyl]methylideneamino]-4-morpholin-4-ylpyrimidin-2-amine;5-fluoro-N-[(E)-[6-methyl-5-[3-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]-4-morpholin-4-ylpyrimidin-2-amine
PubChem CID172921712
Molecular FormulaC115H115F17N32O5
Molecular Weight2348.37 g/mol
Exact Mass2346.95
IUPAC NameN-[(E)-(4-anilino-2-ethylphenyl)methylideneamino]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine;N-[(E)-[2-ethyl-4-[3-(trifluoromethyl)anilino]phenyl]methylideneamino]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine;N-[(E)-[6-ethyl-5-[3-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine;5-fluoro-N-[(E)-[2-methyl-4-[3-(trifluoromethyl)anilino]phenyl]methylideneamino]-4-morpholin-4-ylpyrimidin-2-amine;5-fluoro-N-[(E)-[6-methyl-5-[3-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]-4-morpholin-4-ylpyrimidin-2-amine
SMILESCCc1cc(Nc2cccc(C(F)(F)F)c2)ccc1/C=N/Nc1ncc(F)c(N2CCOCC2)n1.CCc1cc(Nc2ccccc2)ccc1/C=N/Nc1ncc(F)c(N2CCOCC2)n1.CCc1nc(/C=N/Nc2ncc(F)c(N3CCOCC3)n2)ccc1Nc1cccc(C(F)(F)F)c1.Cc1cc(Nc2cccc(C(F)(F)F)c2)ccc1/C=N/Nc1ncc(F)c(N2CCOCC2)n1.Cc1nc(/C=N/Nc2ncc(F)c(N3CCOCC3)n2)ccc1Nc1cccc(C(F)(F)F)c1
InChIInChI=1S/C24H24F4N6O.C23H23F4N7O.C23H22F4N6O.C23H25FN6O.C22H21F4N7O/c1-2-16-12-20(31-19-5-3-4-18(13-19)24(26,27)28)7-6-17(16)14-30-33-23-29-15-21(25)22(32-23)34-8-10-35-11-9-34;1-2-19-20(30-16-5-3-4-15(12-16)23(25,26)27)7-6-17(31-19)13-29-33-22-28-14-18(24)21(32-22)34-8-10-35-11-9-34;1-15-11-19(30-18-4-2-3-17(12-18)23(25,26)27)6-5-16(15)13-29-32-22-28-14-20(24)21(31-22)33-7-9-34-10-8-33;1-2-17-14-20(27-19-6-4-3-5-7-19)9-8-18(17)15-26-29-23-25-16-21(24)22(28-23)30-10-12-31-13-11-30;1-14-19(30-16-4-2-3-15(11-16)22(24,25)26)6-5-17(29-14)12-28-32-21-27-13-18(23)20(31-21)33-7-9-34-10-8-33/h3-7,12-15,31H,2,8-11H2,1H3,(H,29,32,33);3-7,12-14,30H,2,8-11H2,1H3,(H,28,32,33);2-6,11-14,30H,7-10H2,1H3,(H,28,31,32);3-9,14-16,27H,2,10-13H2,1H3,(H,25,28,29);2-6,11-13,30H,7-10H2,1H3,(H,27,31,32)/b30-14+;2*29-13+;26-15+;28-12+
InChIKeyUIRUVNIRNHEUOO-ZPGKVKNYSA-N
XLogP23.38
TPSA399.13 Ų
H-Bond Donors10
H-Bond Acceptors37
Rotatable Bonds33
Heavy Atoms169
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002348.37
LogP ≤ 523.38
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1037

Computed Properties (RDKit)

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

Analyze N-[(E)-(4-anilino-2-ethylphenyl)methylideneamino]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine;N-[(E)-[2-ethyl-4-[3-(trifluoromethyl)anilino]phenyl]methylideneamino]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine;N-[(E)-[6-ethyl-5-[3-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine;5-fluoro-N-[(E)-[2-methyl-4-[3-(trifluoromethyl)anilino]phenyl]methylideneamino]-4-morpholin-4-ylpyrimidin-2-amine;5-fluoro-N-[(E)-[6-methyl-5-[3-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]-4-morpholin-4-ylpyrimidin-2-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[(E)-(4-anilino-2-ethylphenyl)methylideneamino]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine;N-[(E)-[2-ethyl-4-[3-(trifluoromethyl)anilino]phenyl]methylideneamino]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine;N-[(E)-[6-ethyl-5-[3-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine;5-fluoro-N-[(E)-[2-methyl-4-[3-(trifluoromethyl)anilino]phenyl]methylideneamino]-4-morpholin-4-ylpyrimidin-2-amine;5-fluoro-N-[(E)-[6-methyl-5-[3-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]-4-morpholin-4-ylpyrimidin-2-amine?
The IUPAC name of N-[(E)-(4-anilino-2-ethylphenyl)methylideneamino]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine;N-[(E)-[2-ethyl-4-[3-(trifluoromethyl)anilino]phenyl]methylideneamino]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine;N-[(E)-[6-ethyl-5-[3-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine;5-fluoro-N-[(E)-[2-methyl-4-[3-(trifluoromethyl)anilino]phenyl]methylideneamino]-4-morpholin-4-ylpyrimidin-2-amine;5-fluoro-N-[(E)-[6-methyl-5-[3-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]-4-morpholin-4-ylpyrimidin-2-amine (CID 172921712) is N-[(E)-(4-anilino-2-ethylphenyl)methylideneamino]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine;N-[(E)-[2-ethyl-4-[3-(trifluoromethyl)anilino]phenyl]methylideneamino]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine;N-[(E)-[6-ethyl-5-[3-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine;5-fluoro-N-[(E)-[2-methyl-4-[3-(trifluoromethyl)anilino]phenyl]methylideneamino]-4-morpholin-4-ylpyrimidin-2-amine;5-fluoro-N-[(E)-[6-methyl-5-[3-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]-4-morpholin-4-ylpyrimidin-2-amine.
What is the SMILES notation for N-[(E)-(4-anilino-2-ethylphenyl)methylideneamino]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine;N-[(E)-[2-ethyl-4-[3-(trifluoromethyl)anilino]phenyl]methylideneamino]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine;N-[(E)-[6-ethyl-5-[3-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine;5-fluoro-N-[(E)-[2-methyl-4-[3-(trifluoromethyl)anilino]phenyl]methylideneamino]-4-morpholin-4-ylpyrimidin-2-amine;5-fluoro-N-[(E)-[6-methyl-5-[3-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]-4-morpholin-4-ylpyrimidin-2-amine?
The canonical SMILES for N-[(E)-(4-anilino-2-ethylphenyl)methylideneamino]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine;N-[(E)-[2-ethyl-4-[3-(trifluoromethyl)anilino]phenyl]methylideneamino]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine;N-[(E)-[6-ethyl-5-[3-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine;5-fluoro-N-[(E)-[2-methyl-4-[3-(trifluoromethyl)anilino]phenyl]methylideneamino]-4-morpholin-4-ylpyrimidin-2-amine;5-fluoro-N-[(E)-[6-methyl-5-[3-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]-4-morpholin-4-ylpyrimidin-2-amine is CCc1cc(Nc2cccc(C(F)(F)F)c2)ccc1/C=N/Nc1ncc(F)c(N2CCOCC2)n1.CCc1cc(Nc2ccccc2)ccc1/C=N/Nc1ncc(F)c(N2CCOCC2)n1.CCc1nc(/C=N/Nc2ncc(F)c(N3CCOCC3)n2)ccc1Nc1cccc(C(F)(F)F)c1.Cc1cc(Nc2cccc(C(F)(F)F)c2)ccc1/C=N/Nc1ncc(F)c(N2CCOCC2)n1.Cc1nc(/C=N/Nc2ncc(F)c(N3CCOCC3)n2)ccc1Nc1cccc(C(F)(F)F)c1.
What is the InChIKey of N-[(E)-(4-anilino-2-ethylphenyl)methylideneamino]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine;N-[(E)-[2-ethyl-4-[3-(trifluoromethyl)anilino]phenyl]methylideneamino]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine;N-[(E)-[6-ethyl-5-[3-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine;5-fluoro-N-[(E)-[2-methyl-4-[3-(trifluoromethyl)anilino]phenyl]methylideneamino]-4-morpholin-4-ylpyrimidin-2-amine;5-fluoro-N-[(E)-[6-methyl-5-[3-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]-4-morpholin-4-ylpyrimidin-2-amine?
The InChIKey is UIRUVNIRNHEUOO-ZPGKVKNYSA-N. The full InChI is InChI=1S/C24H24F4N6O.C23H23F4N7O.C23H22F4N6O.C23H25FN6O.C22H21F4N7O/c1-2-16-12-20(31-19-5-3-4-18(13-19)24(26,27)28)7-6-17(16)14-30-33-23-29-15-21(25)22(32-23)34-8-10-35-11-9-34;1-2-19-20(30-16-5-3-4-15(12-16)23(25,26)27)7-6-17(31-19)13-29-33-22-28-14-18(24)21(32-22)34-8-10-35-11-9-34;1-15-11-19(30-18-4-2-3-17(12-18)23(25,26)27)6-5-16(15)13-29-32-22-28-14-20(24)21(31-22)33-7-9-34-10-8-33;1-2-17-14-20(27-19-6-4-3-5-7-19)9-8-18(17)15-26-29-23-25-16-21(24)22(28-23)30-10-12-31-13-11-30;1-14-19(30-16-4-2-3-15(11-16)22(24,25)26)6-5-17(29-14)12-28-32-21-27-13-18(23)20(31-21)33-7-9-34-10-8-33/h3-7,12-15,31H,2,8-11H2,1H3,(H,29,32,33);3-7,12-14,30H,2,8-11H2,1H3,(H,28,32,33);2-6,11-14,30H,7-10H2,1H3,(H,28,31,32);3-9,14-16,27H,2,10-13H2,1H3,(H,25,28,29);2-6,11-13,30H,7-10H2,1H3,(H,27,31,32)/b30-14+;2*29-13+;26-15+;28-12+.
What are the key properties of N-[(E)-(4-anilino-2-ethylphenyl)methylideneamino]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine;N-[(E)-[2-ethyl-4-[3-(trifluoromethyl)anilino]phenyl]methylideneamino]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine;N-[(E)-[6-ethyl-5-[3-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine;5-fluoro-N-[(E)-[2-methyl-4-[3-(trifluoromethyl)anilino]phenyl]methylideneamino]-4-morpholin-4-ylpyrimidin-2-amine;5-fluoro-N-[(E)-[6-methyl-5-[3-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]-4-morpholin-4-ylpyrimidin-2-amine?
N-[(E)-(4-anilino-2-ethylphenyl)methylideneamino]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine;N-[(E)-[2-ethyl-4-[3-(trifluoromethyl)anilino]phenyl]methylideneamino]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine;N-[(E)-[6-ethyl-5-[3-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine;5-fluoro-N-[(E)-[2-methyl-4-[3-(trifluoromethyl)anilino]phenyl]methylideneamino]-4-morpholin-4-ylpyrimidin-2-amine;5-fluoro-N-[(E)-[6-methyl-5-[3-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]-4-morpholin-4-ylpyrimidin-2-amine has a molecular weight of 2348.37 g/mol, XLogP of 23.38, 33 rotatable bonds, 10 hydrogen bond donors, and 37 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(4-anilino-2-ethylphenyl)methylideneamino]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine;N-[(E)-[2-ethyl-4-[3-(trifluoromethyl)anilino]phenyl]methylideneamino]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine;N-[(E)-[6-ethyl-5-[3-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine;5-fluoro-N-[(E)-[2-methyl-4-[3-(trifluoromethyl)anilino]phenyl]methylideneamino]-4-morpholin-4-ylpyrimidin-2-amine;5-fluoro-N-[(E)-[6-methyl-5-[3-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]-4-morpholin-4-ylpyrimidin-2-amine is sourced from PubChem (CID 172921712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).