4-(2-ethylmorpholin-4-yl)-N-[(E)-[2-ethyl-4-[3-(trifluoromethyl)anilino]phenyl]methylideneamino]-5-fluoropyrimidin-2-amine;N-[(E)-[2-ethyl-4-[3-(trifluoromethyl)anilino]phenyl]methylideneamino]-5-fluoro-4-(2-propan-2-ylmorpholin-4-yl)pyrimidin-2-amine;N-[(E)-[2-ethyl-4-[3-(trifluoromethyl)anilino]phenyl]methylideneamino]-5-fluoro-4-(3-propan-2-ylmorpholin-4-yl)pyrimidin-2-amine;5-fluoro-4-(3-methylmorpholin-4-yl)-N-[(E)-[6-methyl-5-[3-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]pyrimidin-2-amine;5-fluoro-N-[(E)-[2-methyl-4-[3-(trifluoromethyl)anilino]phenyl]methylideneamino]-4-(2-propan-2-ylmorpholin-4-yl)pyrimidin-2-amine;5-fluoro-N-[(E)-[2-methyl-4-[3-(trifluoromethyl)anilino]phenyl]methylideneamino]-4-(3-propan-2-ylmorpholin-4-yl)pyrimidin-2-amine;5-fluoro-4-(2-propan-2-ylmorpholin-4-yl)-N-[(E)-[5-[3-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]pyrimidin-2-amine;5-fluoro-4-(3-propan-2-ylmorpholin-4-yl)-N-[(E)-[5-[3-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]pyrimidin-2-amine

C203H217F32N51O8 — CID 172935808

IUPAC4-(2-ethylmorpholin-4-yl)-N-[(E)-[2-ethyl-4-[3-(trifluoromethyl)anilino]phenyl]methylideneamino]-5-fluoropyrimidin-2-amine;N-[(E)-[2-ethyl-4-[3-(trifluoromethyl)anilino]phenyl]methylideneamino]-5-fluoro-4-(2-propan-2-ylmorpholin-4-yl)pyrimidin-2-amine;N-[(E)-[2-ethyl-4-[3-(trifluoromethyl)anilino]phenyl]methylideneamino]-5-fluoro-4-(3-propan-2-ylmorpholin-4-yl)pyrimidin-2-amine;5-fluoro-4-(3-methylmorpholin-4-yl)-N-[(E)-[6-methyl-5-[3-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]pyrimidin-2-amine;5-fluoro-N-[(E)-[2-methyl-4-[3-(trifluoromethyl)anilino]phenyl]methylideneamino]-4-(2-propan-2-ylmorpholin-4-yl)pyrimidin-2-amine;5-fluoro-N-[(E)-[2-methyl-4-[3-(trifluoromethyl)anilino]phenyl]methylideneamino]-4-(3-propan-2-ylmorpholin-4-yl)pyrimidin-2-amine;5-fluoro-4-(2-propan-2-ylmorpholin-4-yl)-N-[(E)-[5-[3-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]pyrimidin-2-amine;5-fluoro-4-(3-propan-2-ylmorpholin-4-yl)-N-[(E)-[5-[3-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]pyrimidin-2-amine
SMILESCC(C)C1CN(c2nc(N/N=C/c3ccc(Nc4cccc(C(F)(F)F)c4)cn3)ncc2F)CCO1.CC(C)C1COCCN1c1nc(N/N=C/c2ccc(Nc3cccc(C(F)(F)F)c3)cn2)ncc1F.CCc1cc(Nc2cccc(C(F)(F)F)c2)ccc1/C=N/Nc1ncc(F)c(N2CCOC(C(C)C)C2)n1.CCc1cc(Nc2cccc(C(F)(F)F)c2)ccc1/C=N/Nc1ncc(F)c(N2CCOC(CC)C2)n1.CCc1cc(Nc2cccc(C(F)(F)F)c2)ccc1/C=N/Nc1ncc(F)c(N2CCOCC2C(C)C)n1.Cc1cc(Nc2cccc(C(F)(F)F)c2)ccc1/C=N/Nc1ncc(F)c(N2CCOC(C(C)C)C2)n1.Cc1cc(Nc2cccc(C(F)(F)F)c2)ccc1/C=N/Nc1ncc(F)c(N2CCOCC2C(C)C)n1.Cc1nc(/C=N/Nc2ncc(F)c(N3CCOCC3C)n2)ccc1Nc1cccc(C(F)(F)F)c1
InChIInChI=1S/2C27H30F4N6O.3C26H28F4N6O.2C24H25F4N7O.C23H23F4N7O/c1-4-18-12-22(34-21-7-5-6-20(13-21)27(29,30)31)9-8-19(18)14-33-36-26-32-15-23(28)25(35-26)37-10-11-38-16-24(37)17(2)3;1-4-18-12-22(34-21-7-5-6-20(13-21)27(29,30)31)9-8-19(18)14-33-36-26-32-15-23(28)25(35-26)37-10-11-38-24(16-37)17(2)3;1-16(2)23-15-37-10-9-36(23)24-22(27)14-31-25(34-24)35-32-13-18-7-8-21(11-17(18)3)33-20-6-4-5-19(12-20)26(28,29)30;1-16(2)23-15-36(9-10-37-23)24-22(27)14-31-25(34-24)35-32-13-18-7-8-21(11-17(18)3)33-20-6-4-5-19(12-20)26(28,29)30;1-3-17-12-21(33-20-7-5-6-19(13-20)26(28,29)30)9-8-18(17)14-32-35-25-31-15-23(27)24(34-25)36-10-11-37-22(4-2)16-36;1-15(2)21-14-36-9-8-35(21)22-20(25)13-30-23(33-22)34-31-12-18-6-7-19(11-29-18)32-17-5-3-4-16(10-17)24(26,27)28;1-15(2)21-14-35(8-9-36-21)22-20(25)13-30-23(33-22)34-31-12-18-6-7-19(11-29-18)32-17-5-3-4-16(10-17)24(26,27)28;1-14-13-35-9-8-34(14)21-19(24)12-28-22(32-21)33-29-11-18-6-7-20(15(2)30-18)31-17-5-3-4-16(10-17)23(25,26)27/h2*5-9,12-15,17,24,34H,4,10-11,16H2,1-3H3,(H,32,35,36);2*4-8,11-14,16,23,33H,9-10,15H2,1-3H3,(H,31,34,35);5-9,12-15,22,33H,3-4,10-11,16H2,1-2H3,(H,31,34,35);2*3-7,10-13,15,21,32H,8-9,14H2,1-2H3,(H,30,33,34);3-7,10-12,14,31H,8-9,13H2,1-2H3,(H,28,32,33)/b2*33-14+;2*32-13+;32-14+;2*31-12+;29-11+
InChIKeyOSZHYFDHVRODOI-DGMVYLAQSA-N
MW4107.25 g/mol
LogP45.40
Rot. Bonds58

About 4-(2-ethylmorpholin-4-yl)-N-[(E)-[2-ethyl-4-[3-(trifluoromethyl)anilino]phenyl]methylideneamino]-5-fluoropyrimidin-2-amine;N-[(E)-[2-ethyl-4-[3-(trifluoromethyl)anilino]phenyl]methylideneamino]-5-fluoro-4-(2-propan-2-ylmorpholin-4-yl)pyrimidin-2-amine;N-[(E)-[2-ethyl-4-[3-(trifluoromethyl)anilino]phenyl]methylideneamino]-5-fluoro-4-(3-propan-2-ylmorpholin-4-yl)pyrimidin-2-amine;5-fluoro-4-(3-methylmorpholin-4-yl)-N-[(E)-[6-methyl-5-[3-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]pyrimidin-2-amine;5-fluoro-N-[(E)-[2-methyl-4-[3-(trifluoromethyl)anilino]phenyl]methylideneamino]-4-(2-propan-2-ylmorpholin-4-yl)pyrimidin-2-amine;5-fluoro-N-[(E)-[2-methyl-4-[3-(trifluoromethyl)anilino]phenyl]methylideneamino]-4-(3-propan-2-ylmorpholin-4-yl)pyrimidin-2-amine;5-fluoro-4-(2-propan-2-ylmorpholin-4-yl)-N-[(E)-[5-[3-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]pyrimidin-2-amine;5-fluoro-4-(3-propan-2-ylmorpholin-4-yl)-N-[(E)-[5-[3-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]pyrimidin-2-amine

4-(2-ethylmorpholin-4-yl)-N-[(E)-[2-ethyl-4-[3-(trifluoromethyl)anilino]phenyl]methylideneamino]-5-fluoropyrimidin-2-amine;N-[(E)-[2-ethyl-4-[3-(trifluoromethyl)anilino]phenyl]methylideneamino]-5-fluoro-4-(2-propan-2-ylmorpholin-4-yl)pyrimidin-2-amine;N-[(E)-[2-ethyl-4-[3-(trifluoromethyl)anilino]phenyl]methylideneamino]-5-fluoro-4-(3-propan-2-ylmorpholin-4-yl)pyrimidin-2-amine;5-fluoro-4-(3-methylmorpholin-4-yl)-N-[(E)-[6-methyl-5-[3-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]pyrimidin-2-amine;5-fluoro-N-[(E)-[2-methyl-4-[3-(trifluoromethyl)anilino]phenyl]methylideneamino]-4-(2-propan-2-ylmorpholin-4-yl)pyrimidin-2-amine;5-fluoro-N-[(E)-[2-methyl-4-[3-(trifluoromethyl)anilino]phenyl]methylideneamino]-4-(3-propan-2-ylmorpholin-4-yl)pyrimidin-2-amine;5-fluoro-4-(2-propan-2-ylmorpholin-4-yl)-N-[(E)-[5-[3-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]pyrimidin-2-amine;5-fluoro-4-(3-propan-2-ylmorpholin-4-yl)-N-[(E)-[5-[3-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]pyrimidin-2-amine (PubChem CID 172935808) has the molecular formula C203H217F32N51O8 and a molecular weight of 4107.25 g/mol. Its IUPAC name is 4-(2-ethylmorpholin-4-yl)-N-[(E)-[2-ethyl-4-[3-(trifluoromethyl)anilino]phenyl]methylideneamino]-5-fluoropyrimidin-2-amine;N-[(E)-[2-ethyl-4-[3-(trifluoromethyl)anilino]phenyl]methylideneamino]-5-fluoro-4-(2-propan-2-ylmorpholin-4-yl)pyrimidin-2-amine;N-[(E)-[2-ethyl-4-[3-(trifluoromethyl)anilino]phenyl]methylideneamino]-5-fluoro-4-(3-propan-2-ylmorpholin-4-yl)pyrimidin-2-amine;5-fluoro-4-(3-methylmorpholin-4-yl)-N-[(E)-[6-methyl-5-[3-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]pyrimidin-2-amine;5-fluoro-N-[(E)-[2-methyl-4-[3-(trifluoromethyl)anilino]phenyl]methylideneamino]-4-(2-propan-2-ylmorpholin-4-yl)pyrimidin-2-amine;5-fluoro-N-[(E)-[2-methyl-4-[3-(trifluoromethyl)anilino]phenyl]methylideneamino]-4-(3-propan-2-ylmorpholin-4-yl)pyrimidin-2-amine;5-fluoro-4-(2-propan-2-ylmorpholin-4-yl)-N-[(E)-[5-[3-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]pyrimidin-2-amine;5-fluoro-4-(3-propan-2-ylmorpholin-4-yl)-N-[(E)-[5-[3-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]pyrimidin-2-amine.

Molecular Properties

Compound Name4-(2-ethylmorpholin-4-yl)-N-[(E)-[2-ethyl-4-[3-(trifluoromethyl)anilino]phenyl]methylideneamino]-5-fluoropyrimidin-2-amine;N-[(E)-[2-ethyl-4-[3-(trifluoromethyl)anilino]phenyl]methylideneamino]-5-fluoro-4-(2-propan-2-ylmorpholin-4-yl)pyrimidin-2-amine;N-[(E)-[2-ethyl-4-[3-(trifluoromethyl)anilino]phenyl]methylideneamino]-5-fluoro-4-(3-propan-2-ylmorpholin-4-yl)pyrimidin-2-amine;5-fluoro-4-(3-methylmorpholin-4-yl)-N-[(E)-[6-methyl-5-[3-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]pyrimidin-2-amine;5-fluoro-N-[(E)-[2-methyl-4-[3-(trifluoromethyl)anilino]phenyl]methylideneamino]-4-(2-propan-2-ylmorpholin-4-yl)pyrimidin-2-amine;5-fluoro-N-[(E)-[2-methyl-4-[3-(trifluoromethyl)anilino]phenyl]methylideneamino]-4-(3-propan-2-ylmorpholin-4-yl)pyrimidin-2-amine;5-fluoro-4-(2-propan-2-ylmorpholin-4-yl)-N-[(E)-[5-[3-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]pyrimidin-2-amine;5-fluoro-4-(3-propan-2-ylmorpholin-4-yl)-N-[(E)-[5-[3-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]pyrimidin-2-amine
PubChem CID172935808
Molecular FormulaC203H217F32N51O8
Molecular Weight4107.25 g/mol
Exact Mass4104.76
IUPAC Name4-(2-ethylmorpholin-4-yl)-N-[(E)-[2-ethyl-4-[3-(trifluoromethyl)anilino]phenyl]methylideneamino]-5-fluoropyrimidin-2-amine;N-[(E)-[2-ethyl-4-[3-(trifluoromethyl)anilino]phenyl]methylideneamino]-5-fluoro-4-(2-propan-2-ylmorpholin-4-yl)pyrimidin-2-amine;N-[(E)-[2-ethyl-4-[3-(trifluoromethyl)anilino]phenyl]methylideneamino]-5-fluoro-4-(3-propan-2-ylmorpholin-4-yl)pyrimidin-2-amine;5-fluoro-4-(3-methylmorpholin-4-yl)-N-[(E)-[6-methyl-5-[3-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]pyrimidin-2-amine;5-fluoro-N-[(E)-[2-methyl-4-[3-(trifluoromethyl)anilino]phenyl]methylideneamino]-4-(2-propan-2-ylmorpholin-4-yl)pyrimidin-2-amine;5-fluoro-N-[(E)-[2-methyl-4-[3-(trifluoromethyl)anilino]phenyl]methylideneamino]-4-(3-propan-2-ylmorpholin-4-yl)pyrimidin-2-amine;5-fluoro-4-(2-propan-2-ylmorpholin-4-yl)-N-[(E)-[5-[3-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]pyrimidin-2-amine;5-fluoro-4-(3-propan-2-ylmorpholin-4-yl)-N-[(E)-[5-[3-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]pyrimidin-2-amine
SMILESCC(C)C1CN(c2nc(N/N=C/c3ccc(Nc4cccc(C(F)(F)F)c4)cn3)ncc2F)CCO1.CC(C)C1COCCN1c1nc(N/N=C/c2ccc(Nc3cccc(C(F)(F)F)c3)cn2)ncc1F.CCc1cc(Nc2cccc(C(F)(F)F)c2)ccc1/C=N/Nc1ncc(F)c(N2CCOC(C(C)C)C2)n1.CCc1cc(Nc2cccc(C(F)(F)F)c2)ccc1/C=N/Nc1ncc(F)c(N2CCOC(CC)C2)n1.CCc1cc(Nc2cccc(C(F)(F)F)c2)ccc1/C=N/Nc1ncc(F)c(N2CCOCC2C(C)C)n1.Cc1cc(Nc2cccc(C(F)(F)F)c2)ccc1/C=N/Nc1ncc(F)c(N2CCOC(C(C)C)C2)n1.Cc1cc(Nc2cccc(C(F)(F)F)c2)ccc1/C=N/Nc1ncc(F)c(N2CCOCC2C(C)C)n1.Cc1nc(/C=N/Nc2ncc(F)c(N3CCOCC3C)n2)ccc1Nc1cccc(C(F)(F)F)c1
InChIInChI=1S/2C27H30F4N6O.3C26H28F4N6O.2C24H25F4N7O.C23H23F4N7O/c1-4-18-12-22(34-21-7-5-6-20(13-21)27(29,30)31)9-8-19(18)14-33-36-26-32-15-23(28)25(35-26)37-10-11-38-16-24(37)17(2)3;1-4-18-12-22(34-21-7-5-6-20(13-21)27(29,30)31)9-8-19(18)14-33-36-26-32-15-23(28)25(35-26)37-10-11-38-24(16-37)17(2)3;1-16(2)23-15-37-10-9-36(23)24-22(27)14-31-25(34-24)35-32-13-18-7-8-21(11-17(18)3)33-20-6-4-5-19(12-20)26(28,29)30;1-16(2)23-15-36(9-10-37-23)24-22(27)14-31-25(34-24)35-32-13-18-7-8-21(11-17(18)3)33-20-6-4-5-19(12-20)26(28,29)30;1-3-17-12-21(33-20-7-5-6-19(13-20)26(28,29)30)9-8-18(17)14-32-35-25-31-15-23(27)24(34-25)36-10-11-37-22(4-2)16-36;1-15(2)21-14-36-9-8-35(21)22-20(25)13-30-23(33-22)34-31-12-18-6-7-19(11-29-18)32-17-5-3-4-16(10-17)24(26,27)28;1-15(2)21-14-35(8-9-36-21)22-20(25)13-30-23(33-22)34-31-12-18-6-7-19(11-29-18)32-17-5-3-4-16(10-17)24(26,27)28;1-14-13-35-9-8-34(14)21-19(24)12-28-22(32-21)33-29-11-18-6-7-20(15(2)30-18)31-17-5-3-4-16(10-17)23(25,26)27/h2*5-9,12-15,17,24,34H,4,10-11,16H2,1-3H3,(H,32,35,36);2*4-8,11-14,16,23,33H,9-10,15H2,1-3H3,(H,31,34,35);5-9,12-15,22,33H,3-4,10-11,16H2,1-2H3,(H,31,34,35);2*3-7,10-13,15,21,32H,8-9,14H2,1-2H3,(H,30,33,34);3-7,10-12,14,31H,8-9,13H2,1-2H3,(H,28,32,33)/b2*33-14+;2*32-13+;32-14+;2*31-12+;29-11+
InChIKeyOSZHYFDHVRODOI-DGMVYLAQSA-N
XLogP45.40
TPSA636.03 Ų
H-Bond Donors16
H-Bond Acceptors59
Rotatable Bonds58
Heavy Atoms294
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5004107.25
LogP ≤ 545.40
H-Bond Donors ≤ 516
H-Bond Acceptors ≤ 1059

Analyze 4-(2-ethylmorpholin-4-yl)-N-[(E)-[2-ethyl-4-[3-(trifluoromethyl)anilino]phenyl]methylideneamino]-5-fluoropyrimidin-2-amine;N-[(E)-[2-ethyl-4-[3-(trifluoromethyl)anilino]phenyl]methylideneamino]-5-fluoro-4-(2-propan-2-ylmorpholin-4-yl)pyrimidin-2-amine;N-[(E)-[2-ethyl-4-[3-(trifluoromethyl)anilino]phenyl]methylideneamino]-5-fluoro-4-(3-propan-2-ylmorpholin-4-yl)pyrimidin-2-amine;5-fluoro-4-(3-methylmorpholin-4-yl)-N-[(E)-[6-methyl-5-[3-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]pyrimidin-2-amine;5-fluoro-N-[(E)-[2-methyl-4-[3-(trifluoromethyl)anilino]phenyl]methylideneamino]-4-(2-propan-2-ylmorpholin-4-yl)pyrimidin-2-amine;5-fluoro-N-[(E)-[2-methyl-4-[3-(trifluoromethyl)anilino]phenyl]methylideneamino]-4-(3-propan-2-ylmorpholin-4-yl)pyrimidin-2-amine;5-fluoro-4-(2-propan-2-ylmorpholin-4-yl)-N-[(E)-[5-[3-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]pyrimidin-2-amine;5-fluoro-4-(3-propan-2-ylmorpholin-4-yl)-N-[(E)-[5-[3-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]pyrimidin-2-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-(2-ethylmorpholin-4-yl)-N-[(E)-[2-ethyl-4-[3-(trifluoromethyl)anilino]phenyl]methylideneamino]-5-fluoropyrimidin-2-amine;N-[(E)-[2-ethyl-4-[3-(trifluoromethyl)anilino]phenyl]methylideneamino]-5-fluoro-4-(2-propan-2-ylmorpholin-4-yl)pyrimidin-2-amine;N-[(E)-[2-ethyl-4-[3-(trifluoromethyl)anilino]phenyl]methylideneamino]-5-fluoro-4-(3-propan-2-ylmorpholin-4-yl)pyrimidin-2-amine;5-fluoro-4-(3-methylmorpholin-4-yl)-N-[(E)-[6-methyl-5-[3-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]pyrimidin-2-amine;5-fluoro-N-[(E)-[2-methyl-4-[3-(trifluoromethyl)anilino]phenyl]methylideneamino]-4-(2-propan-2-ylmorpholin-4-yl)pyrimidin-2-amine;5-fluoro-N-[(E)-[2-methyl-4-[3-(trifluoromethyl)anilino]phenyl]methylideneamino]-4-(3-propan-2-ylmorpholin-4-yl)pyrimidin-2-amine;5-fluoro-4-(2-propan-2-ylmorpholin-4-yl)-N-[(E)-[5-[3-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]pyrimidin-2-amine;5-fluoro-4-(3-propan-2-ylmorpholin-4-yl)-N-[(E)-[5-[3-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]pyrimidin-2-amine?
The IUPAC name of 4-(2-ethylmorpholin-4-yl)-N-[(E)-[2-ethyl-4-[3-(trifluoromethyl)anilino]phenyl]methylideneamino]-5-fluoropyrimidin-2-amine;N-[(E)-[2-ethyl-4-[3-(trifluoromethyl)anilino]phenyl]methylideneamino]-5-fluoro-4-(2-propan-2-ylmorpholin-4-yl)pyrimidin-2-amine;N-[(E)-[2-ethyl-4-[3-(trifluoromethyl)anilino]phenyl]methylideneamino]-5-fluoro-4-(3-propan-2-ylmorpholin-4-yl)pyrimidin-2-amine;5-fluoro-4-(3-methylmorpholin-4-yl)-N-[(E)-[6-methyl-5-[3-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]pyrimidin-2-amine;5-fluoro-N-[(E)-[2-methyl-4-[3-(trifluoromethyl)anilino]phenyl]methylideneamino]-4-(2-propan-2-ylmorpholin-4-yl)pyrimidin-2-amine;5-fluoro-N-[(E)-[2-methyl-4-[3-(trifluoromethyl)anilino]phenyl]methylideneamino]-4-(3-propan-2-ylmorpholin-4-yl)pyrimidin-2-amine;5-fluoro-4-(2-propan-2-ylmorpholin-4-yl)-N-[(E)-[5-[3-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]pyrimidin-2-amine;5-fluoro-4-(3-propan-2-ylmorpholin-4-yl)-N-[(E)-[5-[3-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]pyrimidin-2-amine (CID 172935808) is 4-(2-ethylmorpholin-4-yl)-N-[(E)-[2-ethyl-4-[3-(trifluoromethyl)anilino]phenyl]methylideneamino]-5-fluoropyrimidin-2-amine;N-[(E)-[2-ethyl-4-[3-(trifluoromethyl)anilino]phenyl]methylideneamino]-5-fluoro-4-(2-propan-2-ylmorpholin-4-yl)pyrimidin-2-amine;N-[(E)-[2-ethyl-4-[3-(trifluoromethyl)anilino]phenyl]methylideneamino]-5-fluoro-4-(3-propan-2-ylmorpholin-4-yl)pyrimidin-2-amine;5-fluoro-4-(3-methylmorpholin-4-yl)-N-[(E)-[6-methyl-5-[3-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]pyrimidin-2-amine;5-fluoro-N-[(E)-[2-methyl-4-[3-(trifluoromethyl)anilino]phenyl]methylideneamino]-4-(2-propan-2-ylmorpholin-4-yl)pyrimidin-2-amine;5-fluoro-N-[(E)-[2-methyl-4-[3-(trifluoromethyl)anilino]phenyl]methylideneamino]-4-(3-propan-2-ylmorpholin-4-yl)pyrimidin-2-amine;5-fluoro-4-(2-propan-2-ylmorpholin-4-yl)-N-[(E)-[5-[3-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]pyrimidin-2-amine;5-fluoro-4-(3-propan-2-ylmorpholin-4-yl)-N-[(E)-[5-[3-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]pyrimidin-2-amine.
What is the SMILES notation for 4-(2-ethylmorpholin-4-yl)-N-[(E)-[2-ethyl-4-[3-(trifluoromethyl)anilino]phenyl]methylideneamino]-5-fluoropyrimidin-2-amine;N-[(E)-[2-ethyl-4-[3-(trifluoromethyl)anilino]phenyl]methylideneamino]-5-fluoro-4-(2-propan-2-ylmorpholin-4-yl)pyrimidin-2-amine;N-[(E)-[2-ethyl-4-[3-(trifluoromethyl)anilino]phenyl]methylideneamino]-5-fluoro-4-(3-propan-2-ylmorpholin-4-yl)pyrimidin-2-amine;5-fluoro-4-(3-methylmorpholin-4-yl)-N-[(E)-[6-methyl-5-[3-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]pyrimidin-2-amine;5-fluoro-N-[(E)-[2-methyl-4-[3-(trifluoromethyl)anilino]phenyl]methylideneamino]-4-(2-propan-2-ylmorpholin-4-yl)pyrimidin-2-amine;5-fluoro-N-[(E)-[2-methyl-4-[3-(trifluoromethyl)anilino]phenyl]methylideneamino]-4-(3-propan-2-ylmorpholin-4-yl)pyrimidin-2-amine;5-fluoro-4-(2-propan-2-ylmorpholin-4-yl)-N-[(E)-[5-[3-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]pyrimidin-2-amine;5-fluoro-4-(3-propan-2-ylmorpholin-4-yl)-N-[(E)-[5-[3-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]pyrimidin-2-amine?
The canonical SMILES for 4-(2-ethylmorpholin-4-yl)-N-[(E)-[2-ethyl-4-[3-(trifluoromethyl)anilino]phenyl]methylideneamino]-5-fluoropyrimidin-2-amine;N-[(E)-[2-ethyl-4-[3-(trifluoromethyl)anilino]phenyl]methylideneamino]-5-fluoro-4-(2-propan-2-ylmorpholin-4-yl)pyrimidin-2-amine;N-[(E)-[2-ethyl-4-[3-(trifluoromethyl)anilino]phenyl]methylideneamino]-5-fluoro-4-(3-propan-2-ylmorpholin-4-yl)pyrimidin-2-amine;5-fluoro-4-(3-methylmorpholin-4-yl)-N-[(E)-[6-methyl-5-[3-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]pyrimidin-2-amine;5-fluoro-N-[(E)-[2-methyl-4-[3-(trifluoromethyl)anilino]phenyl]methylideneamino]-4-(2-propan-2-ylmorpholin-4-yl)pyrimidin-2-amine;5-fluoro-N-[(E)-[2-methyl-4-[3-(trifluoromethyl)anilino]phenyl]methylideneamino]-4-(3-propan-2-ylmorpholin-4-yl)pyrimidin-2-amine;5-fluoro-4-(2-propan-2-ylmorpholin-4-yl)-N-[(E)-[5-[3-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]pyrimidin-2-amine;5-fluoro-4-(3-propan-2-ylmorpholin-4-yl)-N-[(E)-[5-[3-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]pyrimidin-2-amine is CC(C)C1CN(c2nc(N/N=C/c3ccc(Nc4cccc(C(F)(F)F)c4)cn3)ncc2F)CCO1.CC(C)C1COCCN1c1nc(N/N=C/c2ccc(Nc3cccc(C(F)(F)F)c3)cn2)ncc1F.CCc1cc(Nc2cccc(C(F)(F)F)c2)ccc1/C=N/Nc1ncc(F)c(N2CCOC(C(C)C)C2)n1.CCc1cc(Nc2cccc(C(F)(F)F)c2)ccc1/C=N/Nc1ncc(F)c(N2CCOC(CC)C2)n1.CCc1cc(Nc2cccc(C(F)(F)F)c2)ccc1/C=N/Nc1ncc(F)c(N2CCOCC2C(C)C)n1.Cc1cc(Nc2cccc(C(F)(F)F)c2)ccc1/C=N/Nc1ncc(F)c(N2CCOC(C(C)C)C2)n1.Cc1cc(Nc2cccc(C(F)(F)F)c2)ccc1/C=N/Nc1ncc(F)c(N2CCOCC2C(C)C)n1.Cc1nc(/C=N/Nc2ncc(F)c(N3CCOCC3C)n2)ccc1Nc1cccc(C(F)(F)F)c1.
What is the InChIKey of 4-(2-ethylmorpholin-4-yl)-N-[(E)-[2-ethyl-4-[3-(trifluoromethyl)anilino]phenyl]methylideneamino]-5-fluoropyrimidin-2-amine;N-[(E)-[2-ethyl-4-[3-(trifluoromethyl)anilino]phenyl]methylideneamino]-5-fluoro-4-(2-propan-2-ylmorpholin-4-yl)pyrimidin-2-amine;N-[(E)-[2-ethyl-4-[3-(trifluoromethyl)anilino]phenyl]methylideneamino]-5-fluoro-4-(3-propan-2-ylmorpholin-4-yl)pyrimidin-2-amine;5-fluoro-4-(3-methylmorpholin-4-yl)-N-[(E)-[6-methyl-5-[3-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]pyrimidin-2-amine;5-fluoro-N-[(E)-[2-methyl-4-[3-(trifluoromethyl)anilino]phenyl]methylideneamino]-4-(2-propan-2-ylmorpholin-4-yl)pyrimidin-2-amine;5-fluoro-N-[(E)-[2-methyl-4-[3-(trifluoromethyl)anilino]phenyl]methylideneamino]-4-(3-propan-2-ylmorpholin-4-yl)pyrimidin-2-amine;5-fluoro-4-(2-propan-2-ylmorpholin-4-yl)-N-[(E)-[5-[3-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]pyrimidin-2-amine;5-fluoro-4-(3-propan-2-ylmorpholin-4-yl)-N-[(E)-[5-[3-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]pyrimidin-2-amine?
The InChIKey is OSZHYFDHVRODOI-DGMVYLAQSA-N. The full InChI is InChI=1S/2C27H30F4N6O.3C26H28F4N6O.2C24H25F4N7O.C23H23F4N7O/c1-4-18-12-22(34-21-7-5-6-20(13-21)27(29,30)31)9-8-19(18)14-33-36-26-32-15-23(28)25(35-26)37-10-11-38-16-24(37)17(2)3;1-4-18-12-22(34-21-7-5-6-20(13-21)27(29,30)31)9-8-19(18)14-33-36-26-32-15-23(28)25(35-26)37-10-11-38-24(16-37)17(2)3;1-16(2)23-15-37-10-9-36(23)24-22(27)14-31-25(34-24)35-32-13-18-7-8-21(11-17(18)3)33-20-6-4-5-19(12-20)26(28,29)30;1-16(2)23-15-36(9-10-37-23)24-22(27)14-31-25(34-24)35-32-13-18-7-8-21(11-17(18)3)33-20-6-4-5-19(12-20)26(28,29)30;1-3-17-12-21(33-20-7-5-6-19(13-20)26(28,29)30)9-8-18(17)14-32-35-25-31-15-23(27)24(34-25)36-10-11-37-22(4-2)16-36;1-15(2)21-14-36-9-8-35(21)22-20(25)13-30-23(33-22)34-31-12-18-6-7-19(11-29-18)32-17-5-3-4-16(10-17)24(26,27)28;1-15(2)21-14-35(8-9-36-21)22-20(25)13-30-23(33-22)34-31-12-18-6-7-19(11-29-18)32-17-5-3-4-16(10-17)24(26,27)28;1-14-13-35-9-8-34(14)21-19(24)12-28-22(32-21)33-29-11-18-6-7-20(15(2)30-18)31-17-5-3-4-16(10-17)23(25,26)27/h2*5-9,12-15,17,24,34H,4,10-11,16H2,1-3H3,(H,32,35,36);2*4-8,11-14,16,23,33H,9-10,15H2,1-3H3,(H,31,34,35);5-9,12-15,22,33H,3-4,10-11,16H2,1-2H3,(H,31,34,35);2*3-7,10-13,15,21,32H,8-9,14H2,1-2H3,(H,30,33,34);3-7,10-12,14,31H,8-9,13H2,1-2H3,(H,28,32,33)/b2*33-14+;2*32-13+;32-14+;2*31-12+;29-11+.
What are the key properties of 4-(2-ethylmorpholin-4-yl)-N-[(E)-[2-ethyl-4-[3-(trifluoromethyl)anilino]phenyl]methylideneamino]-5-fluoropyrimidin-2-amine;N-[(E)-[2-ethyl-4-[3-(trifluoromethyl)anilino]phenyl]methylideneamino]-5-fluoro-4-(2-propan-2-ylmorpholin-4-yl)pyrimidin-2-amine;N-[(E)-[2-ethyl-4-[3-(trifluoromethyl)anilino]phenyl]methylideneamino]-5-fluoro-4-(3-propan-2-ylmorpholin-4-yl)pyrimidin-2-amine;5-fluoro-4-(3-methylmorpholin-4-yl)-N-[(E)-[6-methyl-5-[3-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]pyrimidin-2-amine;5-fluoro-N-[(E)-[2-methyl-4-[3-(trifluoromethyl)anilino]phenyl]methylideneamino]-4-(2-propan-2-ylmorpholin-4-yl)pyrimidin-2-amine;5-fluoro-N-[(E)-[2-methyl-4-[3-(trifluoromethyl)anilino]phenyl]methylideneamino]-4-(3-propan-2-ylmorpholin-4-yl)pyrimidin-2-amine;5-fluoro-4-(2-propan-2-ylmorpholin-4-yl)-N-[(E)-[5-[3-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]pyrimidin-2-amine;5-fluoro-4-(3-propan-2-ylmorpholin-4-yl)-N-[(E)-[5-[3-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]pyrimidin-2-amine?
4-(2-ethylmorpholin-4-yl)-N-[(E)-[2-ethyl-4-[3-(trifluoromethyl)anilino]phenyl]methylideneamino]-5-fluoropyrimidin-2-amine;N-[(E)-[2-ethyl-4-[3-(trifluoromethyl)anilino]phenyl]methylideneamino]-5-fluoro-4-(2-propan-2-ylmorpholin-4-yl)pyrimidin-2-amine;N-[(E)-[2-ethyl-4-[3-(trifluoromethyl)anilino]phenyl]methylideneamino]-5-fluoro-4-(3-propan-2-ylmorpholin-4-yl)pyrimidin-2-amine;5-fluoro-4-(3-methylmorpholin-4-yl)-N-[(E)-[6-methyl-5-[3-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]pyrimidin-2-amine;5-fluoro-N-[(E)-[2-methyl-4-[3-(trifluoromethyl)anilino]phenyl]methylideneamino]-4-(2-propan-2-ylmorpholin-4-yl)pyrimidin-2-amine;5-fluoro-N-[(E)-[2-methyl-4-[3-(trifluoromethyl)anilino]phenyl]methylideneamino]-4-(3-propan-2-ylmorpholin-4-yl)pyrimidin-2-amine;5-fluoro-4-(2-propan-2-ylmorpholin-4-yl)-N-[(E)-[5-[3-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]pyrimidin-2-amine;5-fluoro-4-(3-propan-2-ylmorpholin-4-yl)-N-[(E)-[5-[3-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]pyrimidin-2-amine has a molecular weight of 4107.25 g/mol, XLogP of 45.40, 58 rotatable bonds, 16 hydrogen bond donors, and 59 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-ethylmorpholin-4-yl)-N-[(E)-[2-ethyl-4-[3-(trifluoromethyl)anilino]phenyl]methylideneamino]-5-fluoropyrimidin-2-amine;N-[(E)-[2-ethyl-4-[3-(trifluoromethyl)anilino]phenyl]methylideneamino]-5-fluoro-4-(2-propan-2-ylmorpholin-4-yl)pyrimidin-2-amine;N-[(E)-[2-ethyl-4-[3-(trifluoromethyl)anilino]phenyl]methylideneamino]-5-fluoro-4-(3-propan-2-ylmorpholin-4-yl)pyrimidin-2-amine;5-fluoro-4-(3-methylmorpholin-4-yl)-N-[(E)-[6-methyl-5-[3-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]pyrimidin-2-amine;5-fluoro-N-[(E)-[2-methyl-4-[3-(trifluoromethyl)anilino]phenyl]methylideneamino]-4-(2-propan-2-ylmorpholin-4-yl)pyrimidin-2-amine;5-fluoro-N-[(E)-[2-methyl-4-[3-(trifluoromethyl)anilino]phenyl]methylideneamino]-4-(3-propan-2-ylmorpholin-4-yl)pyrimidin-2-amine;5-fluoro-4-(2-propan-2-ylmorpholin-4-yl)-N-[(E)-[5-[3-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]pyrimidin-2-amine;5-fluoro-4-(3-propan-2-ylmorpholin-4-yl)-N-[(E)-[5-[3-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]pyrimidin-2-amine is sourced from PubChem (CID 172935808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).