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

C249H256F38N56O10 — CID 172949637

IUPAC3-ethyl-4-[[4-(3-ethylmorpholin-4-yl)-5-fluoropyrimidin-2-yl]methyliminomethyl]-N-[3-(trifluoromethyl)phenyl]aniline;3-ethyl-4-[[5-fluoro-4-(2-methylmorpholin-4-yl)pyrimidin-2-yl]methyliminomethyl]-N-[3-(trifluoromethyl)phenyl]aniline;3-ethyl-4-[[5-fluoro-4-(3-methylmorpholin-4-yl)pyrimidin-2-yl]methyliminomethyl]-N-[3-(trifluoromethyl)phenyl]aniline;4-[[4-(2-ethylmorpholin-4-yl)-5-fluoropyrimidin-2-yl]methyliminomethyl]-3-methyl-N-[3-(trifluoromethyl)phenyl]aniline;4-[[4-(3-ethylmorpholin-4-yl)-5-fluoropyrimidin-2-yl]methyliminomethyl]-3-methyl-N-[3-(trifluoromethyl)phenyl]aniline;4-(2-ethylmorpholin-4-yl)-5-fluoro-N-[(E)-[5-[3-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]pyrimidin-2-amine;4-[[5-fluoro-4-(2-methylmorpholin-4-yl)pyrimidin-2-yl]methyliminomethyl]-3-methyl-N-[3-(trifluoromethyl)phenyl]aniline;4-[[5-fluoro-4-(3-methylmorpholin-4-yl)pyrimidin-2-yl]methyliminomethyl]-3-methyl-N-[3-(trifluoromethyl)phenyl]aniline;4-methyl-6-(2-methylmorpholin-4-yl)-N-[(E)-[5-[3-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]pyrimidin-2-amine;4-methyl-6-morpholin-4-yl-N-[(E)-[5-[3-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]pyrimidin-2-amine
SMILESCCC1CN(c2nc(C/N=C/c3ccc(Nc4cccc(C(F)(F)F)c4)cc3C)ncc2F)CCO1.CCC1CN(c2nc(N/N=C/c3ccc(Nc4cccc(C(F)(F)F)c4)cn3)ncc2F)CCO1.CCC1COCCN1c1nc(C/N=C/c2ccc(Nc3cccc(C(F)(F)F)c3)cc2C)ncc1F.CCc1cc(Nc2cccc(C(F)(F)F)c2)ccc1/C=N/Cc1ncc(F)c(N2CCOC(C)C2)n1.CCc1cc(Nc2cccc(C(F)(F)F)c2)ccc1/C=N/Cc1ncc(F)c(N2CCOCC2C)n1.CCc1cc(Nc2cccc(C(F)(F)F)c2)ccc1/C=N/Cc1ncc(F)c(N2CCOCC2CC)n1.Cc1cc(N2CCOC(C)C2)nc(N/N=C/c2ccc(Nc3cccc(C(F)(F)F)c3)cn2)n1.Cc1cc(N2CCOCC2)nc(N/N=C/c2ccc(Nc3cccc(C(F)(F)F)c3)cn2)n1.Cc1cc(Nc2cccc(C(F)(F)F)c2)ccc1/C=N/Cc1ncc(F)c(N2CCOC(C)C2)n1.Cc1cc(Nc2cccc(C(F)(F)F)c2)ccc1/C=N/Cc1ncc(F)c(N2CCOCC2C)n1
InChIInChI=1S/C27H29F4N5O.4C26H27F4N5O.2C25H25F4N5O.C23H23F4N7O.C23H24F3N7O.C22H22F3N7O/c1-3-18-12-22(34-21-7-5-6-20(13-21)27(29,30)31)9-8-19(18)14-32-16-25-33-15-24(28)26(35-25)36-10-11-37-17-23(36)4-2;1-3-18-11-22(33-21-6-4-5-20(12-21)26(28,29)30)8-7-19(18)13-31-15-24-32-14-23(27)25(34-24)35-9-10-36-16-17(35)2;1-3-18-11-22(33-21-6-4-5-20(12-21)26(28,29)30)8-7-19(18)13-31-15-24-32-14-23(27)25(34-24)35-9-10-36-17(2)16-35;1-3-22-16-36-10-9-35(22)25-23(27)14-32-24(34-25)15-31-13-18-7-8-21(11-17(18)2)33-20-6-4-5-19(12-20)26(28,29)30;1-3-22-16-35(9-10-36-22)25-23(27)14-32-24(34-25)15-31-13-18-7-8-21(11-17(18)2)33-20-6-4-5-19(12-20)26(28,29)30;1-16-10-21(32-20-5-3-4-19(11-20)25(27,28)29)7-6-18(16)12-30-14-23-31-13-22(26)24(33-23)34-8-9-35-15-17(34)2;1-16-10-21(32-20-5-3-4-19(11-20)25(27,28)29)7-6-18(16)12-30-14-23-31-13-22(26)24(33-23)34-8-9-35-17(2)15-34;1-2-19-14-34(8-9-35-19)21-20(24)13-29-22(32-21)33-30-12-17-6-7-18(11-28-17)31-16-5-3-4-15(10-16)23(25,26)27;1-15-10-21(33-8-9-34-16(2)14-33)31-22(29-15)32-28-13-19-6-7-20(12-27-19)30-18-5-3-4-17(11-18)23(24,25)26;1-15-11-20(32-7-9-33-10-8-32)30-21(28-15)31-27-14-18-5-6-19(13-26-18)29-17-4-2-3-16(12-17)22(23,24)25/h5-9,12-15,23,34H,3-4,10-11,16-17H2,1-2H3;2*4-8,11-14,17,33H,3,9-10,15-16H2,1-2H3;2*4-8,11-14,22,33H,3,9-10,15-16H2,1-2H3;2*3-7,10-13,17,32H,8-9,14-15H2,1-2H3;3-7,10-13,19,31H,2,8-9,14H2,1H3,(H,29,32,33);3-7,10-13,16,30H,8-9,14H2,1-2H3,(H,29,31,32);2-6,11-14,29H,7-10H2,1H3,(H,28,30,31)/b32-14+;4*31-13+;3*30-12+;28-13+;27-14+
InChIKeyYIOSLJFESXQKIK-ATJLICGRSA-N
MW4915.09 g/mol
LogP54.32
Rot. Bonds67

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

3-ethyl-4-[[4-(3-ethylmorpholin-4-yl)-5-fluoropyrimidin-2-yl]methyliminomethyl]-N-[3-(trifluoromethyl)phenyl]aniline;3-ethyl-4-[[5-fluoro-4-(2-methylmorpholin-4-yl)pyrimidin-2-yl]methyliminomethyl]-N-[3-(trifluoromethyl)phenyl]aniline;3-ethyl-4-[[5-fluoro-4-(3-methylmorpholin-4-yl)pyrimidin-2-yl]methyliminomethyl]-N-[3-(trifluoromethyl)phenyl]aniline;4-[[4-(2-ethylmorpholin-4-yl)-5-fluoropyrimidin-2-yl]methyliminomethyl]-3-methyl-N-[3-(trifluoromethyl)phenyl]aniline;4-[[4-(3-ethylmorpholin-4-yl)-5-fluoropyrimidin-2-yl]methyliminomethyl]-3-methyl-N-[3-(trifluoromethyl)phenyl]aniline;4-(2-ethylmorpholin-4-yl)-5-fluoro-N-[(E)-[5-[3-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]pyrimidin-2-amine;4-[[5-fluoro-4-(2-methylmorpholin-4-yl)pyrimidin-2-yl]methyliminomethyl]-3-methyl-N-[3-(trifluoromethyl)phenyl]aniline;4-[[5-fluoro-4-(3-methylmorpholin-4-yl)pyrimidin-2-yl]methyliminomethyl]-3-methyl-N-[3-(trifluoromethyl)phenyl]aniline;4-methyl-6-(2-methylmorpholin-4-yl)-N-[(E)-[5-[3-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]pyrimidin-2-amine;4-methyl-6-morpholin-4-yl-N-[(E)-[5-[3-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]pyrimidin-2-amine (PubChem CID 172949637) has the molecular formula C249H256F38N56O10 and a molecular weight of 4915.09 g/mol. Its IUPAC name is 3-ethyl-4-[[4-(3-ethylmorpholin-4-yl)-5-fluoropyrimidin-2-yl]methyliminomethyl]-N-[3-(trifluoromethyl)phenyl]aniline;3-ethyl-4-[[5-fluoro-4-(2-methylmorpholin-4-yl)pyrimidin-2-yl]methyliminomethyl]-N-[3-(trifluoromethyl)phenyl]aniline;3-ethyl-4-[[5-fluoro-4-(3-methylmorpholin-4-yl)pyrimidin-2-yl]methyliminomethyl]-N-[3-(trifluoromethyl)phenyl]aniline;4-[[4-(2-ethylmorpholin-4-yl)-5-fluoropyrimidin-2-yl]methyliminomethyl]-3-methyl-N-[3-(trifluoromethyl)phenyl]aniline;4-[[4-(3-ethylmorpholin-4-yl)-5-fluoropyrimidin-2-yl]methyliminomethyl]-3-methyl-N-[3-(trifluoromethyl)phenyl]aniline;4-(2-ethylmorpholin-4-yl)-5-fluoro-N-[(E)-[5-[3-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]pyrimidin-2-amine;4-[[5-fluoro-4-(2-methylmorpholin-4-yl)pyrimidin-2-yl]methyliminomethyl]-3-methyl-N-[3-(trifluoromethyl)phenyl]aniline;4-[[5-fluoro-4-(3-methylmorpholin-4-yl)pyrimidin-2-yl]methyliminomethyl]-3-methyl-N-[3-(trifluoromethyl)phenyl]aniline;4-methyl-6-(2-methylmorpholin-4-yl)-N-[(E)-[5-[3-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]pyrimidin-2-amine;4-methyl-6-morpholin-4-yl-N-[(E)-[5-[3-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]pyrimidin-2-amine.

Molecular Properties

Compound Name3-ethyl-4-[[4-(3-ethylmorpholin-4-yl)-5-fluoropyrimidin-2-yl]methyliminomethyl]-N-[3-(trifluoromethyl)phenyl]aniline;3-ethyl-4-[[5-fluoro-4-(2-methylmorpholin-4-yl)pyrimidin-2-yl]methyliminomethyl]-N-[3-(trifluoromethyl)phenyl]aniline;3-ethyl-4-[[5-fluoro-4-(3-methylmorpholin-4-yl)pyrimidin-2-yl]methyliminomethyl]-N-[3-(trifluoromethyl)phenyl]aniline;4-[[4-(2-ethylmorpholin-4-yl)-5-fluoropyrimidin-2-yl]methyliminomethyl]-3-methyl-N-[3-(trifluoromethyl)phenyl]aniline;4-[[4-(3-ethylmorpholin-4-yl)-5-fluoropyrimidin-2-yl]methyliminomethyl]-3-methyl-N-[3-(trifluoromethyl)phenyl]aniline;4-(2-ethylmorpholin-4-yl)-5-fluoro-N-[(E)-[5-[3-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]pyrimidin-2-amine;4-[[5-fluoro-4-(2-methylmorpholin-4-yl)pyrimidin-2-yl]methyliminomethyl]-3-methyl-N-[3-(trifluoromethyl)phenyl]aniline;4-[[5-fluoro-4-(3-methylmorpholin-4-yl)pyrimidin-2-yl]methyliminomethyl]-3-methyl-N-[3-(trifluoromethyl)phenyl]aniline;4-methyl-6-(2-methylmorpholin-4-yl)-N-[(E)-[5-[3-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]pyrimidin-2-amine;4-methyl-6-morpholin-4-yl-N-[(E)-[5-[3-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]pyrimidin-2-amine
PubChem CID172949637
Molecular FormulaC249H256F38N56O10
Molecular Weight4915.09 g/mol
Exact Mass4912.06
IUPAC Name3-ethyl-4-[[4-(3-ethylmorpholin-4-yl)-5-fluoropyrimidin-2-yl]methyliminomethyl]-N-[3-(trifluoromethyl)phenyl]aniline;3-ethyl-4-[[5-fluoro-4-(2-methylmorpholin-4-yl)pyrimidin-2-yl]methyliminomethyl]-N-[3-(trifluoromethyl)phenyl]aniline;3-ethyl-4-[[5-fluoro-4-(3-methylmorpholin-4-yl)pyrimidin-2-yl]methyliminomethyl]-N-[3-(trifluoromethyl)phenyl]aniline;4-[[4-(2-ethylmorpholin-4-yl)-5-fluoropyrimidin-2-yl]methyliminomethyl]-3-methyl-N-[3-(trifluoromethyl)phenyl]aniline;4-[[4-(3-ethylmorpholin-4-yl)-5-fluoropyrimidin-2-yl]methyliminomethyl]-3-methyl-N-[3-(trifluoromethyl)phenyl]aniline;4-(2-ethylmorpholin-4-yl)-5-fluoro-N-[(E)-[5-[3-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]pyrimidin-2-amine;4-[[5-fluoro-4-(2-methylmorpholin-4-yl)pyrimidin-2-yl]methyliminomethyl]-3-methyl-N-[3-(trifluoromethyl)phenyl]aniline;4-[[5-fluoro-4-(3-methylmorpholin-4-yl)pyrimidin-2-yl]methyliminomethyl]-3-methyl-N-[3-(trifluoromethyl)phenyl]aniline;4-methyl-6-(2-methylmorpholin-4-yl)-N-[(E)-[5-[3-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]pyrimidin-2-amine;4-methyl-6-morpholin-4-yl-N-[(E)-[5-[3-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]pyrimidin-2-amine
SMILESCCC1CN(c2nc(C/N=C/c3ccc(Nc4cccc(C(F)(F)F)c4)cc3C)ncc2F)CCO1.CCC1CN(c2nc(N/N=C/c3ccc(Nc4cccc(C(F)(F)F)c4)cn3)ncc2F)CCO1.CCC1COCCN1c1nc(C/N=C/c2ccc(Nc3cccc(C(F)(F)F)c3)cc2C)ncc1F.CCc1cc(Nc2cccc(C(F)(F)F)c2)ccc1/C=N/Cc1ncc(F)c(N2CCOC(C)C2)n1.CCc1cc(Nc2cccc(C(F)(F)F)c2)ccc1/C=N/Cc1ncc(F)c(N2CCOCC2C)n1.CCc1cc(Nc2cccc(C(F)(F)F)c2)ccc1/C=N/Cc1ncc(F)c(N2CCOCC2CC)n1.Cc1cc(N2CCOC(C)C2)nc(N/N=C/c2ccc(Nc3cccc(C(F)(F)F)c3)cn2)n1.Cc1cc(N2CCOCC2)nc(N/N=C/c2ccc(Nc3cccc(C(F)(F)F)c3)cn2)n1.Cc1cc(Nc2cccc(C(F)(F)F)c2)ccc1/C=N/Cc1ncc(F)c(N2CCOC(C)C2)n1.Cc1cc(Nc2cccc(C(F)(F)F)c2)ccc1/C=N/Cc1ncc(F)c(N2CCOCC2C)n1
InChIInChI=1S/C27H29F4N5O.4C26H27F4N5O.2C25H25F4N5O.C23H23F4N7O.C23H24F3N7O.C22H22F3N7O/c1-3-18-12-22(34-21-7-5-6-20(13-21)27(29,30)31)9-8-19(18)14-32-16-25-33-15-24(28)26(35-25)36-10-11-37-17-23(36)4-2;1-3-18-11-22(33-21-6-4-5-20(12-21)26(28,29)30)8-7-19(18)13-31-15-24-32-14-23(27)25(34-24)35-9-10-36-16-17(35)2;1-3-18-11-22(33-21-6-4-5-20(12-21)26(28,29)30)8-7-19(18)13-31-15-24-32-14-23(27)25(34-24)35-9-10-36-17(2)16-35;1-3-22-16-36-10-9-35(22)25-23(27)14-32-24(34-25)15-31-13-18-7-8-21(11-17(18)2)33-20-6-4-5-19(12-20)26(28,29)30;1-3-22-16-35(9-10-36-22)25-23(27)14-32-24(34-25)15-31-13-18-7-8-21(11-17(18)2)33-20-6-4-5-19(12-20)26(28,29)30;1-16-10-21(32-20-5-3-4-19(11-20)25(27,28)29)7-6-18(16)12-30-14-23-31-13-22(26)24(33-23)34-8-9-35-15-17(34)2;1-16-10-21(32-20-5-3-4-19(11-20)25(27,28)29)7-6-18(16)12-30-14-23-31-13-22(26)24(33-23)34-8-9-35-17(2)15-34;1-2-19-14-34(8-9-35-19)21-20(24)13-29-22(32-21)33-30-12-17-6-7-18(11-28-17)31-16-5-3-4-15(10-16)23(25,26)27;1-15-10-21(33-8-9-34-16(2)14-33)31-22(29-15)32-28-13-19-6-7-20(12-27-19)30-18-5-3-4-17(11-18)23(24,25)26;1-15-11-20(32-7-9-33-10-8-32)30-21(28-15)31-27-14-18-5-6-19(13-26-18)29-17-4-2-3-16(12-17)22(23,24)25/h5-9,12-15,23,34H,3-4,10-11,16-17H2,1-2H3;2*4-8,11-14,17,33H,3,9-10,15-16H2,1-2H3;2*4-8,11-14,22,33H,3,9-10,15-16H2,1-2H3;2*3-7,10-13,17,32H,8-9,14-15H2,1-2H3;3-7,10-13,19,31H,2,8-9,14H2,1H3,(H,29,32,33);3-7,10-13,16,30H,8-9,14H2,1-2H3,(H,29,31,32);2-6,11-14,29H,7-10H2,1H3,(H,28,30,31)/b32-14+;4*31-13+;3*30-12+;28-13+;27-14+
InChIKeyYIOSLJFESXQKIK-ATJLICGRSA-N
XLogP54.32
TPSA701.16 Ų
H-Bond Donors13
H-Bond Acceptors66
Rotatable Bonds67
Heavy Atoms353
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5004915.09
LogP ≤ 554.32
H-Bond Donors ≤ 513
H-Bond Acceptors ≤ 1066

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

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What is the IUPAC name of 3-ethyl-4-[[4-(3-ethylmorpholin-4-yl)-5-fluoropyrimidin-2-yl]methyliminomethyl]-N-[3-(trifluoromethyl)phenyl]aniline;3-ethyl-4-[[5-fluoro-4-(2-methylmorpholin-4-yl)pyrimidin-2-yl]methyliminomethyl]-N-[3-(trifluoromethyl)phenyl]aniline;3-ethyl-4-[[5-fluoro-4-(3-methylmorpholin-4-yl)pyrimidin-2-yl]methyliminomethyl]-N-[3-(trifluoromethyl)phenyl]aniline;4-[[4-(2-ethylmorpholin-4-yl)-5-fluoropyrimidin-2-yl]methyliminomethyl]-3-methyl-N-[3-(trifluoromethyl)phenyl]aniline;4-[[4-(3-ethylmorpholin-4-yl)-5-fluoropyrimidin-2-yl]methyliminomethyl]-3-methyl-N-[3-(trifluoromethyl)phenyl]aniline;4-(2-ethylmorpholin-4-yl)-5-fluoro-N-[(E)-[5-[3-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]pyrimidin-2-amine;4-[[5-fluoro-4-(2-methylmorpholin-4-yl)pyrimidin-2-yl]methyliminomethyl]-3-methyl-N-[3-(trifluoromethyl)phenyl]aniline;4-[[5-fluoro-4-(3-methylmorpholin-4-yl)pyrimidin-2-yl]methyliminomethyl]-3-methyl-N-[3-(trifluoromethyl)phenyl]aniline;4-methyl-6-(2-methylmorpholin-4-yl)-N-[(E)-[5-[3-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]pyrimidin-2-amine;4-methyl-6-morpholin-4-yl-N-[(E)-[5-[3-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]pyrimidin-2-amine?
The IUPAC name of 3-ethyl-4-[[4-(3-ethylmorpholin-4-yl)-5-fluoropyrimidin-2-yl]methyliminomethyl]-N-[3-(trifluoromethyl)phenyl]aniline;3-ethyl-4-[[5-fluoro-4-(2-methylmorpholin-4-yl)pyrimidin-2-yl]methyliminomethyl]-N-[3-(trifluoromethyl)phenyl]aniline;3-ethyl-4-[[5-fluoro-4-(3-methylmorpholin-4-yl)pyrimidin-2-yl]methyliminomethyl]-N-[3-(trifluoromethyl)phenyl]aniline;4-[[4-(2-ethylmorpholin-4-yl)-5-fluoropyrimidin-2-yl]methyliminomethyl]-3-methyl-N-[3-(trifluoromethyl)phenyl]aniline;4-[[4-(3-ethylmorpholin-4-yl)-5-fluoropyrimidin-2-yl]methyliminomethyl]-3-methyl-N-[3-(trifluoromethyl)phenyl]aniline;4-(2-ethylmorpholin-4-yl)-5-fluoro-N-[(E)-[5-[3-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]pyrimidin-2-amine;4-[[5-fluoro-4-(2-methylmorpholin-4-yl)pyrimidin-2-yl]methyliminomethyl]-3-methyl-N-[3-(trifluoromethyl)phenyl]aniline;4-[[5-fluoro-4-(3-methylmorpholin-4-yl)pyrimidin-2-yl]methyliminomethyl]-3-methyl-N-[3-(trifluoromethyl)phenyl]aniline;4-methyl-6-(2-methylmorpholin-4-yl)-N-[(E)-[5-[3-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]pyrimidin-2-amine;4-methyl-6-morpholin-4-yl-N-[(E)-[5-[3-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]pyrimidin-2-amine (CID 172949637) is 3-ethyl-4-[[4-(3-ethylmorpholin-4-yl)-5-fluoropyrimidin-2-yl]methyliminomethyl]-N-[3-(trifluoromethyl)phenyl]aniline;3-ethyl-4-[[5-fluoro-4-(2-methylmorpholin-4-yl)pyrimidin-2-yl]methyliminomethyl]-N-[3-(trifluoromethyl)phenyl]aniline;3-ethyl-4-[[5-fluoro-4-(3-methylmorpholin-4-yl)pyrimidin-2-yl]methyliminomethyl]-N-[3-(trifluoromethyl)phenyl]aniline;4-[[4-(2-ethylmorpholin-4-yl)-5-fluoropyrimidin-2-yl]methyliminomethyl]-3-methyl-N-[3-(trifluoromethyl)phenyl]aniline;4-[[4-(3-ethylmorpholin-4-yl)-5-fluoropyrimidin-2-yl]methyliminomethyl]-3-methyl-N-[3-(trifluoromethyl)phenyl]aniline;4-(2-ethylmorpholin-4-yl)-5-fluoro-N-[(E)-[5-[3-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]pyrimidin-2-amine;4-[[5-fluoro-4-(2-methylmorpholin-4-yl)pyrimidin-2-yl]methyliminomethyl]-3-methyl-N-[3-(trifluoromethyl)phenyl]aniline;4-[[5-fluoro-4-(3-methylmorpholin-4-yl)pyrimidin-2-yl]methyliminomethyl]-3-methyl-N-[3-(trifluoromethyl)phenyl]aniline;4-methyl-6-(2-methylmorpholin-4-yl)-N-[(E)-[5-[3-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]pyrimidin-2-amine;4-methyl-6-morpholin-4-yl-N-[(E)-[5-[3-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]pyrimidin-2-amine.
What is the SMILES notation for 3-ethyl-4-[[4-(3-ethylmorpholin-4-yl)-5-fluoropyrimidin-2-yl]methyliminomethyl]-N-[3-(trifluoromethyl)phenyl]aniline;3-ethyl-4-[[5-fluoro-4-(2-methylmorpholin-4-yl)pyrimidin-2-yl]methyliminomethyl]-N-[3-(trifluoromethyl)phenyl]aniline;3-ethyl-4-[[5-fluoro-4-(3-methylmorpholin-4-yl)pyrimidin-2-yl]methyliminomethyl]-N-[3-(trifluoromethyl)phenyl]aniline;4-[[4-(2-ethylmorpholin-4-yl)-5-fluoropyrimidin-2-yl]methyliminomethyl]-3-methyl-N-[3-(trifluoromethyl)phenyl]aniline;4-[[4-(3-ethylmorpholin-4-yl)-5-fluoropyrimidin-2-yl]methyliminomethyl]-3-methyl-N-[3-(trifluoromethyl)phenyl]aniline;4-(2-ethylmorpholin-4-yl)-5-fluoro-N-[(E)-[5-[3-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]pyrimidin-2-amine;4-[[5-fluoro-4-(2-methylmorpholin-4-yl)pyrimidin-2-yl]methyliminomethyl]-3-methyl-N-[3-(trifluoromethyl)phenyl]aniline;4-[[5-fluoro-4-(3-methylmorpholin-4-yl)pyrimidin-2-yl]methyliminomethyl]-3-methyl-N-[3-(trifluoromethyl)phenyl]aniline;4-methyl-6-(2-methylmorpholin-4-yl)-N-[(E)-[5-[3-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]pyrimidin-2-amine;4-methyl-6-morpholin-4-yl-N-[(E)-[5-[3-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]pyrimidin-2-amine?
The canonical SMILES for 3-ethyl-4-[[4-(3-ethylmorpholin-4-yl)-5-fluoropyrimidin-2-yl]methyliminomethyl]-N-[3-(trifluoromethyl)phenyl]aniline;3-ethyl-4-[[5-fluoro-4-(2-methylmorpholin-4-yl)pyrimidin-2-yl]methyliminomethyl]-N-[3-(trifluoromethyl)phenyl]aniline;3-ethyl-4-[[5-fluoro-4-(3-methylmorpholin-4-yl)pyrimidin-2-yl]methyliminomethyl]-N-[3-(trifluoromethyl)phenyl]aniline;4-[[4-(2-ethylmorpholin-4-yl)-5-fluoropyrimidin-2-yl]methyliminomethyl]-3-methyl-N-[3-(trifluoromethyl)phenyl]aniline;4-[[4-(3-ethylmorpholin-4-yl)-5-fluoropyrimidin-2-yl]methyliminomethyl]-3-methyl-N-[3-(trifluoromethyl)phenyl]aniline;4-(2-ethylmorpholin-4-yl)-5-fluoro-N-[(E)-[5-[3-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]pyrimidin-2-amine;4-[[5-fluoro-4-(2-methylmorpholin-4-yl)pyrimidin-2-yl]methyliminomethyl]-3-methyl-N-[3-(trifluoromethyl)phenyl]aniline;4-[[5-fluoro-4-(3-methylmorpholin-4-yl)pyrimidin-2-yl]methyliminomethyl]-3-methyl-N-[3-(trifluoromethyl)phenyl]aniline;4-methyl-6-(2-methylmorpholin-4-yl)-N-[(E)-[5-[3-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]pyrimidin-2-amine;4-methyl-6-morpholin-4-yl-N-[(E)-[5-[3-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]pyrimidin-2-amine is CCC1CN(c2nc(C/N=C/c3ccc(Nc4cccc(C(F)(F)F)c4)cc3C)ncc2F)CCO1.CCC1CN(c2nc(N/N=C/c3ccc(Nc4cccc(C(F)(F)F)c4)cn3)ncc2F)CCO1.CCC1COCCN1c1nc(C/N=C/c2ccc(Nc3cccc(C(F)(F)F)c3)cc2C)ncc1F.CCc1cc(Nc2cccc(C(F)(F)F)c2)ccc1/C=N/Cc1ncc(F)c(N2CCOC(C)C2)n1.CCc1cc(Nc2cccc(C(F)(F)F)c2)ccc1/C=N/Cc1ncc(F)c(N2CCOCC2C)n1.CCc1cc(Nc2cccc(C(F)(F)F)c2)ccc1/C=N/Cc1ncc(F)c(N2CCOCC2CC)n1.Cc1cc(N2CCOC(C)C2)nc(N/N=C/c2ccc(Nc3cccc(C(F)(F)F)c3)cn2)n1.Cc1cc(N2CCOCC2)nc(N/N=C/c2ccc(Nc3cccc(C(F)(F)F)c3)cn2)n1.Cc1cc(Nc2cccc(C(F)(F)F)c2)ccc1/C=N/Cc1ncc(F)c(N2CCOC(C)C2)n1.Cc1cc(Nc2cccc(C(F)(F)F)c2)ccc1/C=N/Cc1ncc(F)c(N2CCOCC2C)n1.
What is the InChIKey of 3-ethyl-4-[[4-(3-ethylmorpholin-4-yl)-5-fluoropyrimidin-2-yl]methyliminomethyl]-N-[3-(trifluoromethyl)phenyl]aniline;3-ethyl-4-[[5-fluoro-4-(2-methylmorpholin-4-yl)pyrimidin-2-yl]methyliminomethyl]-N-[3-(trifluoromethyl)phenyl]aniline;3-ethyl-4-[[5-fluoro-4-(3-methylmorpholin-4-yl)pyrimidin-2-yl]methyliminomethyl]-N-[3-(trifluoromethyl)phenyl]aniline;4-[[4-(2-ethylmorpholin-4-yl)-5-fluoropyrimidin-2-yl]methyliminomethyl]-3-methyl-N-[3-(trifluoromethyl)phenyl]aniline;4-[[4-(3-ethylmorpholin-4-yl)-5-fluoropyrimidin-2-yl]methyliminomethyl]-3-methyl-N-[3-(trifluoromethyl)phenyl]aniline;4-(2-ethylmorpholin-4-yl)-5-fluoro-N-[(E)-[5-[3-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]pyrimidin-2-amine;4-[[5-fluoro-4-(2-methylmorpholin-4-yl)pyrimidin-2-yl]methyliminomethyl]-3-methyl-N-[3-(trifluoromethyl)phenyl]aniline;4-[[5-fluoro-4-(3-methylmorpholin-4-yl)pyrimidin-2-yl]methyliminomethyl]-3-methyl-N-[3-(trifluoromethyl)phenyl]aniline;4-methyl-6-(2-methylmorpholin-4-yl)-N-[(E)-[5-[3-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]pyrimidin-2-amine;4-methyl-6-morpholin-4-yl-N-[(E)-[5-[3-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]pyrimidin-2-amine?
The InChIKey is YIOSLJFESXQKIK-ATJLICGRSA-N. The full InChI is InChI=1S/C27H29F4N5O.4C26H27F4N5O.2C25H25F4N5O.C23H23F4N7O.C23H24F3N7O.C22H22F3N7O/c1-3-18-12-22(34-21-7-5-6-20(13-21)27(29,30)31)9-8-19(18)14-32-16-25-33-15-24(28)26(35-25)36-10-11-37-17-23(36)4-2;1-3-18-11-22(33-21-6-4-5-20(12-21)26(28,29)30)8-7-19(18)13-31-15-24-32-14-23(27)25(34-24)35-9-10-36-16-17(35)2;1-3-18-11-22(33-21-6-4-5-20(12-21)26(28,29)30)8-7-19(18)13-31-15-24-32-14-23(27)25(34-24)35-9-10-36-17(2)16-35;1-3-22-16-36-10-9-35(22)25-23(27)14-32-24(34-25)15-31-13-18-7-8-21(11-17(18)2)33-20-6-4-5-19(12-20)26(28,29)30;1-3-22-16-35(9-10-36-22)25-23(27)14-32-24(34-25)15-31-13-18-7-8-21(11-17(18)2)33-20-6-4-5-19(12-20)26(28,29)30;1-16-10-21(32-20-5-3-4-19(11-20)25(27,28)29)7-6-18(16)12-30-14-23-31-13-22(26)24(33-23)34-8-9-35-15-17(34)2;1-16-10-21(32-20-5-3-4-19(11-20)25(27,28)29)7-6-18(16)12-30-14-23-31-13-22(26)24(33-23)34-8-9-35-17(2)15-34;1-2-19-14-34(8-9-35-19)21-20(24)13-29-22(32-21)33-30-12-17-6-7-18(11-28-17)31-16-5-3-4-15(10-16)23(25,26)27;1-15-10-21(33-8-9-34-16(2)14-33)31-22(29-15)32-28-13-19-6-7-20(12-27-19)30-18-5-3-4-17(11-18)23(24,25)26;1-15-11-20(32-7-9-33-10-8-32)30-21(28-15)31-27-14-18-5-6-19(13-26-18)29-17-4-2-3-16(12-17)22(23,24)25/h5-9,12-15,23,34H,3-4,10-11,16-17H2,1-2H3;2*4-8,11-14,17,33H,3,9-10,15-16H2,1-2H3;2*4-8,11-14,22,33H,3,9-10,15-16H2,1-2H3;2*3-7,10-13,17,32H,8-9,14-15H2,1-2H3;3-7,10-13,19,31H,2,8-9,14H2,1H3,(H,29,32,33);3-7,10-13,16,30H,8-9,14H2,1-2H3,(H,29,31,32);2-6,11-14,29H,7-10H2,1H3,(H,28,30,31)/b32-14+;4*31-13+;3*30-12+;28-13+;27-14+.
What are the key properties of 3-ethyl-4-[[4-(3-ethylmorpholin-4-yl)-5-fluoropyrimidin-2-yl]methyliminomethyl]-N-[3-(trifluoromethyl)phenyl]aniline;3-ethyl-4-[[5-fluoro-4-(2-methylmorpholin-4-yl)pyrimidin-2-yl]methyliminomethyl]-N-[3-(trifluoromethyl)phenyl]aniline;3-ethyl-4-[[5-fluoro-4-(3-methylmorpholin-4-yl)pyrimidin-2-yl]methyliminomethyl]-N-[3-(trifluoromethyl)phenyl]aniline;4-[[4-(2-ethylmorpholin-4-yl)-5-fluoropyrimidin-2-yl]methyliminomethyl]-3-methyl-N-[3-(trifluoromethyl)phenyl]aniline;4-[[4-(3-ethylmorpholin-4-yl)-5-fluoropyrimidin-2-yl]methyliminomethyl]-3-methyl-N-[3-(trifluoromethyl)phenyl]aniline;4-(2-ethylmorpholin-4-yl)-5-fluoro-N-[(E)-[5-[3-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]pyrimidin-2-amine;4-[[5-fluoro-4-(2-methylmorpholin-4-yl)pyrimidin-2-yl]methyliminomethyl]-3-methyl-N-[3-(trifluoromethyl)phenyl]aniline;4-[[5-fluoro-4-(3-methylmorpholin-4-yl)pyrimidin-2-yl]methyliminomethyl]-3-methyl-N-[3-(trifluoromethyl)phenyl]aniline;4-methyl-6-(2-methylmorpholin-4-yl)-N-[(E)-[5-[3-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]pyrimidin-2-amine;4-methyl-6-morpholin-4-yl-N-[(E)-[5-[3-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]pyrimidin-2-amine?
3-ethyl-4-[[4-(3-ethylmorpholin-4-yl)-5-fluoropyrimidin-2-yl]methyliminomethyl]-N-[3-(trifluoromethyl)phenyl]aniline;3-ethyl-4-[[5-fluoro-4-(2-methylmorpholin-4-yl)pyrimidin-2-yl]methyliminomethyl]-N-[3-(trifluoromethyl)phenyl]aniline;3-ethyl-4-[[5-fluoro-4-(3-methylmorpholin-4-yl)pyrimidin-2-yl]methyliminomethyl]-N-[3-(trifluoromethyl)phenyl]aniline;4-[[4-(2-ethylmorpholin-4-yl)-5-fluoropyrimidin-2-yl]methyliminomethyl]-3-methyl-N-[3-(trifluoromethyl)phenyl]aniline;4-[[4-(3-ethylmorpholin-4-yl)-5-fluoropyrimidin-2-yl]methyliminomethyl]-3-methyl-N-[3-(trifluoromethyl)phenyl]aniline;4-(2-ethylmorpholin-4-yl)-5-fluoro-N-[(E)-[5-[3-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]pyrimidin-2-amine;4-[[5-fluoro-4-(2-methylmorpholin-4-yl)pyrimidin-2-yl]methyliminomethyl]-3-methyl-N-[3-(trifluoromethyl)phenyl]aniline;4-[[5-fluoro-4-(3-methylmorpholin-4-yl)pyrimidin-2-yl]methyliminomethyl]-3-methyl-N-[3-(trifluoromethyl)phenyl]aniline;4-methyl-6-(2-methylmorpholin-4-yl)-N-[(E)-[5-[3-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]pyrimidin-2-amine;4-methyl-6-morpholin-4-yl-N-[(E)-[5-[3-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]pyrimidin-2-amine has a molecular weight of 4915.09 g/mol, XLogP of 54.32, 67 rotatable bonds, 13 hydrogen bond donors, and 66 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-4-[[4-(3-ethylmorpholin-4-yl)-5-fluoropyrimidin-2-yl]methyliminomethyl]-N-[3-(trifluoromethyl)phenyl]aniline;3-ethyl-4-[[5-fluoro-4-(2-methylmorpholin-4-yl)pyrimidin-2-yl]methyliminomethyl]-N-[3-(trifluoromethyl)phenyl]aniline;3-ethyl-4-[[5-fluoro-4-(3-methylmorpholin-4-yl)pyrimidin-2-yl]methyliminomethyl]-N-[3-(trifluoromethyl)phenyl]aniline;4-[[4-(2-ethylmorpholin-4-yl)-5-fluoropyrimidin-2-yl]methyliminomethyl]-3-methyl-N-[3-(trifluoromethyl)phenyl]aniline;4-[[4-(3-ethylmorpholin-4-yl)-5-fluoropyrimidin-2-yl]methyliminomethyl]-3-methyl-N-[3-(trifluoromethyl)phenyl]aniline;4-(2-ethylmorpholin-4-yl)-5-fluoro-N-[(E)-[5-[3-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]pyrimidin-2-amine;4-[[5-fluoro-4-(2-methylmorpholin-4-yl)pyrimidin-2-yl]methyliminomethyl]-3-methyl-N-[3-(trifluoromethyl)phenyl]aniline;4-[[5-fluoro-4-(3-methylmorpholin-4-yl)pyrimidin-2-yl]methyliminomethyl]-3-methyl-N-[3-(trifluoromethyl)phenyl]aniline;4-methyl-6-(2-methylmorpholin-4-yl)-N-[(E)-[5-[3-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]pyrimidin-2-amine;4-methyl-6-morpholin-4-yl-N-[(E)-[5-[3-(trifluoromethyl)anilino]-2-pyridinyl]methylideneamino]pyrimidin-2-amine is sourced from PubChem (CID 172949637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).