5-[4-(2-aminopyrimidin-4-yl)oxyphenyl]-N-(3-methylphenyl)-1,3,4-oxadiazol-2-amine;5-[4-(6-aminopyrimidin-4-yl)oxyphenyl]-N-(3-methylphenyl)-1,3,4-oxadiazol-2-amine;4-[4-[3-(4-chloro-3,5-dimethylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]-6-ethoxypyrimidin-2-amine;4-[4-[3-(2,3-dimethylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]-6-ethoxypyrimidin-2-amine;4-[4-[3-(3,4-dimethylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]-6-ethoxypyrimidin-2-amine;4-[4-[3-(3,5-dimethylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]-6-ethoxypyrimidin-2-amine;2-ethoxy-6-[4-[3-(4-fluoro-2,3-dimethylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]pyrimidin-4-amine;4-ethoxy-6-[4-[3-(3-methylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]pyrimidin-2-amine;4-ethoxy-6-[4-[3-(5,6,7,8-tetrahydronaphthalen-1-ylamino)-1H-1,2,4-triazol-5-yl]phenoxy]pyrimidin-2-amine;6-[4-[3-(3-methylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]-2-methylsulfanylpyrimidin-4-amine;4-[4-[3-(3-methylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]pyrimidin-2-amine;6-[4-[3-(3-methylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]pyrimidin-4-amine

C251H244ClFN82O21S — CID 157272681

IUPAC5-[4-(2-aminopyrimidin-4-yl)oxyphenyl]-N-(3-methylphenyl)-1,3,4-oxadiazol-2-amine;5-[4-(6-aminopyrimidin-4-yl)oxyphenyl]-N-(3-methylphenyl)-1,3,4-oxadiazol-2-amine;4-[4-[3-(4-chloro-3,5-dimethylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]-6-ethoxypyrimidin-2-amine;4-[4-[3-(2,3-dimethylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]-6-ethoxypyrimidin-2-amine;4-[4-[3-(3,4-dimethylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]-6-ethoxypyrimidin-2-amine;4-[4-[3-(3,5-dimethylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]-6-ethoxypyrimidin-2-amine;2-ethoxy-6-[4-[3-(4-fluoro-2,3-dimethylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]pyrimidin-4-amine;4-ethoxy-6-[4-[3-(3-methylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]pyrimidin-2-amine;4-ethoxy-6-[4-[3-(5,6,7,8-tetrahydronaphthalen-1-ylamino)-1H-1,2,4-triazol-5-yl]phenoxy]pyrimidin-2-amine;6-[4-[3-(3-methylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]-2-methylsulfanylpyrimidin-4-amine;4-[4-[3-(3-methylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]pyrimidin-2-amine;6-[4-[3-(3-methylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]pyrimidin-4-amine
SMILESCCOc1cc(Oc2ccc(-c3nc(Nc4cc(C)c(Cl)c(C)c4)n[nH]3)cc2)nc(N)n1.CCOc1cc(Oc2ccc(-c3nc(Nc4cc(C)cc(C)c4)n[nH]3)cc2)nc(N)n1.CCOc1cc(Oc2ccc(-c3nc(Nc4ccc(C)c(C)c4)n[nH]3)cc2)nc(N)n1.CCOc1cc(Oc2ccc(-c3nc(Nc4cccc(C)c4)n[nH]3)cc2)nc(N)n1.CCOc1cc(Oc2ccc(-c3nc(Nc4cccc(C)c4C)n[nH]3)cc2)nc(N)n1.CCOc1cc(Oc2ccc(-c3nc(Nc4cccc5c4CCCC5)n[nH]3)cc2)nc(N)n1.CCOc1nc(N)cc(Oc2ccc(-c3nc(Nc4ccc(F)c(C)c4C)n[nH]3)cc2)n1.CSc1nc(N)cc(Oc2ccc(-c3nc(Nc4cccc(C)c4)n[nH]3)cc2)n1.Cc1cccc(Nc2n[nH]c(-c3ccc(Oc4cc(N)ncn4)cc3)n2)c1.Cc1cccc(Nc2n[nH]c(-c3ccc(Oc4ccnc(N)n4)cc3)n2)c1.Cc1cccc(Nc2nnc(-c3ccc(Oc4cc(N)ncn4)cc3)o2)c1.Cc1cccc(Nc2nnc(-c3ccc(Oc4ccnc(N)n4)cc3)o2)c1
InChIInChI=1S/C24H25N7O2.C22H22ClN7O2.C22H22FN7O2.3C22H23N7O2.C21H21N7O2.C20H19N7OS.2C19H17N7O.2C19H16N6O2/c1-2-32-20-14-21(28-23(25)27-20)33-17-12-10-16(11-13-17)22-29-24(31-30-22)26-19-9-5-7-15-6-3-4-8-18(15)19;1-4-31-17-11-18(27-21(24)26-17)32-16-7-5-14(6-8-16)20-28-22(30-29-20)25-15-9-12(2)19(23)13(3)10-15;1-4-31-22-26-18(24)11-19(27-22)32-15-7-5-14(6-8-15)20-28-21(30-29-20)25-17-10-9-16(23)12(2)13(17)3;1-4-30-18-12-19(26-21(23)25-18)31-17-9-6-15(7-10-17)20-27-22(29-28-20)24-16-8-5-13(2)14(3)11-16;1-4-30-18-12-19(26-21(23)25-18)31-17-7-5-15(6-8-17)20-27-22(29-28-20)24-16-10-13(2)9-14(3)11-16;1-4-30-18-12-19(26-21(23)25-18)31-16-10-8-15(9-11-16)20-27-22(29-28-20)24-17-7-5-6-13(2)14(17)3;1-3-29-17-12-18(25-20(22)24-17)30-16-9-7-14(8-10-16)19-26-21(28-27-19)23-15-6-4-5-13(2)11-15;1-12-4-3-5-14(10-12)22-19-25-18(26-27-19)13-6-8-15(9-7-13)28-17-11-16(21)23-20(24-17)29-2;1-12-3-2-4-14(9-12)23-19-24-18(25-26-19)13-5-7-15(8-6-13)27-17-10-16(20)21-11-22-17;1-12-3-2-4-14(11-12)22-19-24-17(25-26-19)13-5-7-15(8-6-13)27-16-9-10-21-18(20)23-16;1-12-3-2-4-14(9-12)23-19-25-24-18(27-19)13-5-7-15(8-6-13)26-17-10-16(20)21-11-22-17;1-12-3-2-4-14(11-12)22-19-25-24-17(27-19)13-5-7-15(8-6-13)26-16-9-10-21-18(20)23-16/h5,7,9-14H,2-4,6,8H2,1H3,(H2,25,27,28)(H2,26,29,30,31);2*5-11H,4H2,1-3H3,(H2,24,26,27)(H2,25,28,29,30);3*5-12H,4H2,1-3H3,(H2,23,25,26)(H2,24,27,28,29);4-12H,3H2,1-2H3,(H2,22,24,25)(H2,23,26,27,28);3-11H,1-2H3,(H2,21,23,24)(H2,22,25,26,27);2-11H,1H3,(H2,20,21,22)(H2,23,24,25,26);2-11H,1H3,(H2,20,21,23)(H2,22,24,25,26);2-11H,1H3,(H,23,25)(H2,20,21,22);2-11H,1H3,(H,22,25)(H2,20,21,23)
InChIKeyAYSLODWCJZOXLD-UHFFFAOYSA-N
MW4831.78 g/mol
LogP51.21
Rot. Bonds75

About 5-[4-(2-aminopyrimidin-4-yl)oxyphenyl]-N-(3-methylphenyl)-1,3,4-oxadiazol-2-amine;5-[4-(6-aminopyrimidin-4-yl)oxyphenyl]-N-(3-methylphenyl)-1,3,4-oxadiazol-2-amine;4-[4-[3-(4-chloro-3,5-dimethylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]-6-ethoxypyrimidin-2-amine;4-[4-[3-(2,3-dimethylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]-6-ethoxypyrimidin-2-amine;4-[4-[3-(3,4-dimethylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]-6-ethoxypyrimidin-2-amine;4-[4-[3-(3,5-dimethylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]-6-ethoxypyrimidin-2-amine;2-ethoxy-6-[4-[3-(4-fluoro-2,3-dimethylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]pyrimidin-4-amine;4-ethoxy-6-[4-[3-(3-methylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]pyrimidin-2-amine;4-ethoxy-6-[4-[3-(5,6,7,8-tetrahydronaphthalen-1-ylamino)-1H-1,2,4-triazol-5-yl]phenoxy]pyrimidin-2-amine;6-[4-[3-(3-methylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]-2-methylsulfanylpyrimidin-4-amine;4-[4-[3-(3-methylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]pyrimidin-2-amine;6-[4-[3-(3-methylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]pyrimidin-4-amine

5-[4-(2-aminopyrimidin-4-yl)oxyphenyl]-N-(3-methylphenyl)-1,3,4-oxadiazol-2-amine;5-[4-(6-aminopyrimidin-4-yl)oxyphenyl]-N-(3-methylphenyl)-1,3,4-oxadiazol-2-amine;4-[4-[3-(4-chloro-3,5-dimethylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]-6-ethoxypyrimidin-2-amine;4-[4-[3-(2,3-dimethylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]-6-ethoxypyrimidin-2-amine;4-[4-[3-(3,4-dimethylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]-6-ethoxypyrimidin-2-amine;4-[4-[3-(3,5-dimethylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]-6-ethoxypyrimidin-2-amine;2-ethoxy-6-[4-[3-(4-fluoro-2,3-dimethylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]pyrimidin-4-amine;4-ethoxy-6-[4-[3-(3-methylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]pyrimidin-2-amine;4-ethoxy-6-[4-[3-(5,6,7,8-tetrahydronaphthalen-1-ylamino)-1H-1,2,4-triazol-5-yl]phenoxy]pyrimidin-2-amine;6-[4-[3-(3-methylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]-2-methylsulfanylpyrimidin-4-amine;4-[4-[3-(3-methylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]pyrimidin-2-amine;6-[4-[3-(3-methylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]pyrimidin-4-amine (PubChem CID 157272681) has the molecular formula C251H244ClFN82O21S and a molecular weight of 4831.78 g/mol. Its IUPAC name is 5-[4-(2-aminopyrimidin-4-yl)oxyphenyl]-N-(3-methylphenyl)-1,3,4-oxadiazol-2-amine;5-[4-(6-aminopyrimidin-4-yl)oxyphenyl]-N-(3-methylphenyl)-1,3,4-oxadiazol-2-amine;4-[4-[3-(4-chloro-3,5-dimethylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]-6-ethoxypyrimidin-2-amine;4-[4-[3-(2,3-dimethylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]-6-ethoxypyrimidin-2-amine;4-[4-[3-(3,4-dimethylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]-6-ethoxypyrimidin-2-amine;4-[4-[3-(3,5-dimethylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]-6-ethoxypyrimidin-2-amine;2-ethoxy-6-[4-[3-(4-fluoro-2,3-dimethylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]pyrimidin-4-amine;4-ethoxy-6-[4-[3-(3-methylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]pyrimidin-2-amine;4-ethoxy-6-[4-[3-(5,6,7,8-tetrahydronaphthalen-1-ylamino)-1H-1,2,4-triazol-5-yl]phenoxy]pyrimidin-2-amine;6-[4-[3-(3-methylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]-2-methylsulfanylpyrimidin-4-amine;4-[4-[3-(3-methylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]pyrimidin-2-amine;6-[4-[3-(3-methylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]pyrimidin-4-amine.

Molecular Properties

Compound Name5-[4-(2-aminopyrimidin-4-yl)oxyphenyl]-N-(3-methylphenyl)-1,3,4-oxadiazol-2-amine;5-[4-(6-aminopyrimidin-4-yl)oxyphenyl]-N-(3-methylphenyl)-1,3,4-oxadiazol-2-amine;4-[4-[3-(4-chloro-3,5-dimethylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]-6-ethoxypyrimidin-2-amine;4-[4-[3-(2,3-dimethylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]-6-ethoxypyrimidin-2-amine;4-[4-[3-(3,4-dimethylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]-6-ethoxypyrimidin-2-amine;4-[4-[3-(3,5-dimethylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]-6-ethoxypyrimidin-2-amine;2-ethoxy-6-[4-[3-(4-fluoro-2,3-dimethylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]pyrimidin-4-amine;4-ethoxy-6-[4-[3-(3-methylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]pyrimidin-2-amine;4-ethoxy-6-[4-[3-(5,6,7,8-tetrahydronaphthalen-1-ylamino)-1H-1,2,4-triazol-5-yl]phenoxy]pyrimidin-2-amine;6-[4-[3-(3-methylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]-2-methylsulfanylpyrimidin-4-amine;4-[4-[3-(3-methylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]pyrimidin-2-amine;6-[4-[3-(3-methylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]pyrimidin-4-amine
PubChem CID157272681
Molecular FormulaC251H244ClFN82O21S
Molecular Weight4831.78 g/mol
Exact Mass4827.99
IUPAC Name5-[4-(2-aminopyrimidin-4-yl)oxyphenyl]-N-(3-methylphenyl)-1,3,4-oxadiazol-2-amine;5-[4-(6-aminopyrimidin-4-yl)oxyphenyl]-N-(3-methylphenyl)-1,3,4-oxadiazol-2-amine;4-[4-[3-(4-chloro-3,5-dimethylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]-6-ethoxypyrimidin-2-amine;4-[4-[3-(2,3-dimethylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]-6-ethoxypyrimidin-2-amine;4-[4-[3-(3,4-dimethylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]-6-ethoxypyrimidin-2-amine;4-[4-[3-(3,5-dimethylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]-6-ethoxypyrimidin-2-amine;2-ethoxy-6-[4-[3-(4-fluoro-2,3-dimethylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]pyrimidin-4-amine;4-ethoxy-6-[4-[3-(3-methylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]pyrimidin-2-amine;4-ethoxy-6-[4-[3-(5,6,7,8-tetrahydronaphthalen-1-ylamino)-1H-1,2,4-triazol-5-yl]phenoxy]pyrimidin-2-amine;6-[4-[3-(3-methylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]-2-methylsulfanylpyrimidin-4-amine;4-[4-[3-(3-methylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]pyrimidin-2-amine;6-[4-[3-(3-methylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]pyrimidin-4-amine
SMILESCCOc1cc(Oc2ccc(-c3nc(Nc4cc(C)c(Cl)c(C)c4)n[nH]3)cc2)nc(N)n1.CCOc1cc(Oc2ccc(-c3nc(Nc4cc(C)cc(C)c4)n[nH]3)cc2)nc(N)n1.CCOc1cc(Oc2ccc(-c3nc(Nc4ccc(C)c(C)c4)n[nH]3)cc2)nc(N)n1.CCOc1cc(Oc2ccc(-c3nc(Nc4cccc(C)c4)n[nH]3)cc2)nc(N)n1.CCOc1cc(Oc2ccc(-c3nc(Nc4cccc(C)c4C)n[nH]3)cc2)nc(N)n1.CCOc1cc(Oc2ccc(-c3nc(Nc4cccc5c4CCCC5)n[nH]3)cc2)nc(N)n1.CCOc1nc(N)cc(Oc2ccc(-c3nc(Nc4ccc(F)c(C)c4C)n[nH]3)cc2)n1.CSc1nc(N)cc(Oc2ccc(-c3nc(Nc4cccc(C)c4)n[nH]3)cc2)n1.Cc1cccc(Nc2n[nH]c(-c3ccc(Oc4cc(N)ncn4)cc3)n2)c1.Cc1cccc(Nc2n[nH]c(-c3ccc(Oc4ccnc(N)n4)cc3)n2)c1.Cc1cccc(Nc2nnc(-c3ccc(Oc4cc(N)ncn4)cc3)o2)c1.Cc1cccc(Nc2nnc(-c3ccc(Oc4ccnc(N)n4)cc3)o2)c1
InChIInChI=1S/C24H25N7O2.C22H22ClN7O2.C22H22FN7O2.3C22H23N7O2.C21H21N7O2.C20H19N7OS.2C19H17N7O.2C19H16N6O2/c1-2-32-20-14-21(28-23(25)27-20)33-17-12-10-16(11-13-17)22-29-24(31-30-22)26-19-9-5-7-15-6-3-4-8-18(15)19;1-4-31-17-11-18(27-21(24)26-17)32-16-7-5-14(6-8-16)20-28-22(30-29-20)25-15-9-12(2)19(23)13(3)10-15;1-4-31-22-26-18(24)11-19(27-22)32-15-7-5-14(6-8-15)20-28-21(30-29-20)25-17-10-9-16(23)12(2)13(17)3;1-4-30-18-12-19(26-21(23)25-18)31-17-9-6-15(7-10-17)20-27-22(29-28-20)24-16-8-5-13(2)14(3)11-16;1-4-30-18-12-19(26-21(23)25-18)31-17-7-5-15(6-8-17)20-27-22(29-28-20)24-16-10-13(2)9-14(3)11-16;1-4-30-18-12-19(26-21(23)25-18)31-16-10-8-15(9-11-16)20-27-22(29-28-20)24-17-7-5-6-13(2)14(17)3;1-3-29-17-12-18(25-20(22)24-17)30-16-9-7-14(8-10-16)19-26-21(28-27-19)23-15-6-4-5-13(2)11-15;1-12-4-3-5-14(10-12)22-19-25-18(26-27-19)13-6-8-15(9-7-13)28-17-11-16(21)23-20(24-17)29-2;1-12-3-2-4-14(9-12)23-19-24-18(25-26-19)13-5-7-15(8-6-13)27-17-10-16(20)21-11-22-17;1-12-3-2-4-14(11-12)22-19-24-17(25-26-19)13-5-7-15(8-6-13)27-16-9-10-21-18(20)23-16;1-12-3-2-4-14(9-12)23-19-25-24-18(27-19)13-5-7-15(8-6-13)26-17-10-16(20)21-11-22-17;1-12-3-2-4-14(11-12)22-19-25-24-17(27-19)13-5-7-15(8-6-13)26-16-9-10-21-18(20)23-16/h5,7,9-14H,2-4,6,8H2,1H3,(H2,25,27,28)(H2,26,29,30,31);2*5-11H,4H2,1-3H3,(H2,24,26,27)(H2,25,28,29,30);3*5-12H,4H2,1-3H3,(H2,23,25,26)(H2,24,27,28,29);4-12H,3H2,1-2H3,(H2,22,24,25)(H2,23,26,27,28);3-11H,1-2H3,(H2,21,23,24)(H2,22,25,26,27);2-11H,1H3,(H2,20,21,22)(H2,23,24,25,26);2-11H,1H3,(H2,20,21,23)(H2,22,24,25,26);2-11H,1H3,(H,23,25)(H2,20,21,22);2-11H,1H3,(H,22,25)(H2,20,21,23)
InChIKeyAYSLODWCJZOXLD-UHFFFAOYSA-N
XLogP51.21
TPSA1434.87 Ų
H-Bond Donors34
H-Bond Acceptors94
Rotatable Bonds75
Heavy Atoms357
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5004831.78
LogP ≤ 551.21
H-Bond Donors ≤ 534
H-Bond Acceptors ≤ 1094

Analyze 5-[4-(2-aminopyrimidin-4-yl)oxyphenyl]-N-(3-methylphenyl)-1,3,4-oxadiazol-2-amine;5-[4-(6-aminopyrimidin-4-yl)oxyphenyl]-N-(3-methylphenyl)-1,3,4-oxadiazol-2-amine;4-[4-[3-(4-chloro-3,5-dimethylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]-6-ethoxypyrimidin-2-amine;4-[4-[3-(2,3-dimethylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]-6-ethoxypyrimidin-2-amine;4-[4-[3-(3,4-dimethylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]-6-ethoxypyrimidin-2-amine;4-[4-[3-(3,5-dimethylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]-6-ethoxypyrimidin-2-amine;2-ethoxy-6-[4-[3-(4-fluoro-2,3-dimethylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]pyrimidin-4-amine;4-ethoxy-6-[4-[3-(3-methylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]pyrimidin-2-amine;4-ethoxy-6-[4-[3-(5,6,7,8-tetrahydronaphthalen-1-ylamino)-1H-1,2,4-triazol-5-yl]phenoxy]pyrimidin-2-amine;6-[4-[3-(3-methylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]-2-methylsulfanylpyrimidin-4-amine;4-[4-[3-(3-methylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]pyrimidin-2-amine;6-[4-[3-(3-methylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]pyrimidin-4-amine with MolForge

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What is the IUPAC name of 5-[4-(2-aminopyrimidin-4-yl)oxyphenyl]-N-(3-methylphenyl)-1,3,4-oxadiazol-2-amine;5-[4-(6-aminopyrimidin-4-yl)oxyphenyl]-N-(3-methylphenyl)-1,3,4-oxadiazol-2-amine;4-[4-[3-(4-chloro-3,5-dimethylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]-6-ethoxypyrimidin-2-amine;4-[4-[3-(2,3-dimethylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]-6-ethoxypyrimidin-2-amine;4-[4-[3-(3,4-dimethylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]-6-ethoxypyrimidin-2-amine;4-[4-[3-(3,5-dimethylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]-6-ethoxypyrimidin-2-amine;2-ethoxy-6-[4-[3-(4-fluoro-2,3-dimethylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]pyrimidin-4-amine;4-ethoxy-6-[4-[3-(3-methylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]pyrimidin-2-amine;4-ethoxy-6-[4-[3-(5,6,7,8-tetrahydronaphthalen-1-ylamino)-1H-1,2,4-triazol-5-yl]phenoxy]pyrimidin-2-amine;6-[4-[3-(3-methylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]-2-methylsulfanylpyrimidin-4-amine;4-[4-[3-(3-methylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]pyrimidin-2-amine;6-[4-[3-(3-methylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]pyrimidin-4-amine?
The IUPAC name of 5-[4-(2-aminopyrimidin-4-yl)oxyphenyl]-N-(3-methylphenyl)-1,3,4-oxadiazol-2-amine;5-[4-(6-aminopyrimidin-4-yl)oxyphenyl]-N-(3-methylphenyl)-1,3,4-oxadiazol-2-amine;4-[4-[3-(4-chloro-3,5-dimethylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]-6-ethoxypyrimidin-2-amine;4-[4-[3-(2,3-dimethylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]-6-ethoxypyrimidin-2-amine;4-[4-[3-(3,4-dimethylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]-6-ethoxypyrimidin-2-amine;4-[4-[3-(3,5-dimethylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]-6-ethoxypyrimidin-2-amine;2-ethoxy-6-[4-[3-(4-fluoro-2,3-dimethylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]pyrimidin-4-amine;4-ethoxy-6-[4-[3-(3-methylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]pyrimidin-2-amine;4-ethoxy-6-[4-[3-(5,6,7,8-tetrahydronaphthalen-1-ylamino)-1H-1,2,4-triazol-5-yl]phenoxy]pyrimidin-2-amine;6-[4-[3-(3-methylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]-2-methylsulfanylpyrimidin-4-amine;4-[4-[3-(3-methylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]pyrimidin-2-amine;6-[4-[3-(3-methylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]pyrimidin-4-amine (CID 157272681) is 5-[4-(2-aminopyrimidin-4-yl)oxyphenyl]-N-(3-methylphenyl)-1,3,4-oxadiazol-2-amine;5-[4-(6-aminopyrimidin-4-yl)oxyphenyl]-N-(3-methylphenyl)-1,3,4-oxadiazol-2-amine;4-[4-[3-(4-chloro-3,5-dimethylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]-6-ethoxypyrimidin-2-amine;4-[4-[3-(2,3-dimethylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]-6-ethoxypyrimidin-2-amine;4-[4-[3-(3,4-dimethylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]-6-ethoxypyrimidin-2-amine;4-[4-[3-(3,5-dimethylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]-6-ethoxypyrimidin-2-amine;2-ethoxy-6-[4-[3-(4-fluoro-2,3-dimethylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]pyrimidin-4-amine;4-ethoxy-6-[4-[3-(3-methylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]pyrimidin-2-amine;4-ethoxy-6-[4-[3-(5,6,7,8-tetrahydronaphthalen-1-ylamino)-1H-1,2,4-triazol-5-yl]phenoxy]pyrimidin-2-amine;6-[4-[3-(3-methylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]-2-methylsulfanylpyrimidin-4-amine;4-[4-[3-(3-methylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]pyrimidin-2-amine;6-[4-[3-(3-methylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]pyrimidin-4-amine.
What is the SMILES notation for 5-[4-(2-aminopyrimidin-4-yl)oxyphenyl]-N-(3-methylphenyl)-1,3,4-oxadiazol-2-amine;5-[4-(6-aminopyrimidin-4-yl)oxyphenyl]-N-(3-methylphenyl)-1,3,4-oxadiazol-2-amine;4-[4-[3-(4-chloro-3,5-dimethylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]-6-ethoxypyrimidin-2-amine;4-[4-[3-(2,3-dimethylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]-6-ethoxypyrimidin-2-amine;4-[4-[3-(3,4-dimethylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]-6-ethoxypyrimidin-2-amine;4-[4-[3-(3,5-dimethylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]-6-ethoxypyrimidin-2-amine;2-ethoxy-6-[4-[3-(4-fluoro-2,3-dimethylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]pyrimidin-4-amine;4-ethoxy-6-[4-[3-(3-methylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]pyrimidin-2-amine;4-ethoxy-6-[4-[3-(5,6,7,8-tetrahydronaphthalen-1-ylamino)-1H-1,2,4-triazol-5-yl]phenoxy]pyrimidin-2-amine;6-[4-[3-(3-methylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]-2-methylsulfanylpyrimidin-4-amine;4-[4-[3-(3-methylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]pyrimidin-2-amine;6-[4-[3-(3-methylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]pyrimidin-4-amine?
The canonical SMILES for 5-[4-(2-aminopyrimidin-4-yl)oxyphenyl]-N-(3-methylphenyl)-1,3,4-oxadiazol-2-amine;5-[4-(6-aminopyrimidin-4-yl)oxyphenyl]-N-(3-methylphenyl)-1,3,4-oxadiazol-2-amine;4-[4-[3-(4-chloro-3,5-dimethylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]-6-ethoxypyrimidin-2-amine;4-[4-[3-(2,3-dimethylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]-6-ethoxypyrimidin-2-amine;4-[4-[3-(3,4-dimethylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]-6-ethoxypyrimidin-2-amine;4-[4-[3-(3,5-dimethylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]-6-ethoxypyrimidin-2-amine;2-ethoxy-6-[4-[3-(4-fluoro-2,3-dimethylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]pyrimidin-4-amine;4-ethoxy-6-[4-[3-(3-methylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]pyrimidin-2-amine;4-ethoxy-6-[4-[3-(5,6,7,8-tetrahydronaphthalen-1-ylamino)-1H-1,2,4-triazol-5-yl]phenoxy]pyrimidin-2-amine;6-[4-[3-(3-methylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]-2-methylsulfanylpyrimidin-4-amine;4-[4-[3-(3-methylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]pyrimidin-2-amine;6-[4-[3-(3-methylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]pyrimidin-4-amine is CCOc1cc(Oc2ccc(-c3nc(Nc4cc(C)c(Cl)c(C)c4)n[nH]3)cc2)nc(N)n1.CCOc1cc(Oc2ccc(-c3nc(Nc4cc(C)cc(C)c4)n[nH]3)cc2)nc(N)n1.CCOc1cc(Oc2ccc(-c3nc(Nc4ccc(C)c(C)c4)n[nH]3)cc2)nc(N)n1.CCOc1cc(Oc2ccc(-c3nc(Nc4cccc(C)c4)n[nH]3)cc2)nc(N)n1.CCOc1cc(Oc2ccc(-c3nc(Nc4cccc(C)c4C)n[nH]3)cc2)nc(N)n1.CCOc1cc(Oc2ccc(-c3nc(Nc4cccc5c4CCCC5)n[nH]3)cc2)nc(N)n1.CCOc1nc(N)cc(Oc2ccc(-c3nc(Nc4ccc(F)c(C)c4C)n[nH]3)cc2)n1.CSc1nc(N)cc(Oc2ccc(-c3nc(Nc4cccc(C)c4)n[nH]3)cc2)n1.Cc1cccc(Nc2n[nH]c(-c3ccc(Oc4cc(N)ncn4)cc3)n2)c1.Cc1cccc(Nc2n[nH]c(-c3ccc(Oc4ccnc(N)n4)cc3)n2)c1.Cc1cccc(Nc2nnc(-c3ccc(Oc4cc(N)ncn4)cc3)o2)c1.Cc1cccc(Nc2nnc(-c3ccc(Oc4ccnc(N)n4)cc3)o2)c1.
What is the InChIKey of 5-[4-(2-aminopyrimidin-4-yl)oxyphenyl]-N-(3-methylphenyl)-1,3,4-oxadiazol-2-amine;5-[4-(6-aminopyrimidin-4-yl)oxyphenyl]-N-(3-methylphenyl)-1,3,4-oxadiazol-2-amine;4-[4-[3-(4-chloro-3,5-dimethylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]-6-ethoxypyrimidin-2-amine;4-[4-[3-(2,3-dimethylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]-6-ethoxypyrimidin-2-amine;4-[4-[3-(3,4-dimethylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]-6-ethoxypyrimidin-2-amine;4-[4-[3-(3,5-dimethylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]-6-ethoxypyrimidin-2-amine;2-ethoxy-6-[4-[3-(4-fluoro-2,3-dimethylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]pyrimidin-4-amine;4-ethoxy-6-[4-[3-(3-methylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]pyrimidin-2-amine;4-ethoxy-6-[4-[3-(5,6,7,8-tetrahydronaphthalen-1-ylamino)-1H-1,2,4-triazol-5-yl]phenoxy]pyrimidin-2-amine;6-[4-[3-(3-methylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]-2-methylsulfanylpyrimidin-4-amine;4-[4-[3-(3-methylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]pyrimidin-2-amine;6-[4-[3-(3-methylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]pyrimidin-4-amine?
The InChIKey is AYSLODWCJZOXLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N7O2.C22H22ClN7O2.C22H22FN7O2.3C22H23N7O2.C21H21N7O2.C20H19N7OS.2C19H17N7O.2C19H16N6O2/c1-2-32-20-14-21(28-23(25)27-20)33-17-12-10-16(11-13-17)22-29-24(31-30-22)26-19-9-5-7-15-6-3-4-8-18(15)19;1-4-31-17-11-18(27-21(24)26-17)32-16-7-5-14(6-8-16)20-28-22(30-29-20)25-15-9-12(2)19(23)13(3)10-15;1-4-31-22-26-18(24)11-19(27-22)32-15-7-5-14(6-8-15)20-28-21(30-29-20)25-17-10-9-16(23)12(2)13(17)3;1-4-30-18-12-19(26-21(23)25-18)31-17-9-6-15(7-10-17)20-27-22(29-28-20)24-16-8-5-13(2)14(3)11-16;1-4-30-18-12-19(26-21(23)25-18)31-17-7-5-15(6-8-17)20-27-22(29-28-20)24-16-10-13(2)9-14(3)11-16;1-4-30-18-12-19(26-21(23)25-18)31-16-10-8-15(9-11-16)20-27-22(29-28-20)24-17-7-5-6-13(2)14(17)3;1-3-29-17-12-18(25-20(22)24-17)30-16-9-7-14(8-10-16)19-26-21(28-27-19)23-15-6-4-5-13(2)11-15;1-12-4-3-5-14(10-12)22-19-25-18(26-27-19)13-6-8-15(9-7-13)28-17-11-16(21)23-20(24-17)29-2;1-12-3-2-4-14(9-12)23-19-24-18(25-26-19)13-5-7-15(8-6-13)27-17-10-16(20)21-11-22-17;1-12-3-2-4-14(11-12)22-19-24-17(25-26-19)13-5-7-15(8-6-13)27-16-9-10-21-18(20)23-16;1-12-3-2-4-14(9-12)23-19-25-24-18(27-19)13-5-7-15(8-6-13)26-17-10-16(20)21-11-22-17;1-12-3-2-4-14(11-12)22-19-25-24-17(27-19)13-5-7-15(8-6-13)26-16-9-10-21-18(20)23-16/h5,7,9-14H,2-4,6,8H2,1H3,(H2,25,27,28)(H2,26,29,30,31);2*5-11H,4H2,1-3H3,(H2,24,26,27)(H2,25,28,29,30);3*5-12H,4H2,1-3H3,(H2,23,25,26)(H2,24,27,28,29);4-12H,3H2,1-2H3,(H2,22,24,25)(H2,23,26,27,28);3-11H,1-2H3,(H2,21,23,24)(H2,22,25,26,27);2-11H,1H3,(H2,20,21,22)(H2,23,24,25,26);2-11H,1H3,(H2,20,21,23)(H2,22,24,25,26);2-11H,1H3,(H,23,25)(H2,20,21,22);2-11H,1H3,(H,22,25)(H2,20,21,23).
What are the key properties of 5-[4-(2-aminopyrimidin-4-yl)oxyphenyl]-N-(3-methylphenyl)-1,3,4-oxadiazol-2-amine;5-[4-(6-aminopyrimidin-4-yl)oxyphenyl]-N-(3-methylphenyl)-1,3,4-oxadiazol-2-amine;4-[4-[3-(4-chloro-3,5-dimethylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]-6-ethoxypyrimidin-2-amine;4-[4-[3-(2,3-dimethylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]-6-ethoxypyrimidin-2-amine;4-[4-[3-(3,4-dimethylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]-6-ethoxypyrimidin-2-amine;4-[4-[3-(3,5-dimethylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]-6-ethoxypyrimidin-2-amine;2-ethoxy-6-[4-[3-(4-fluoro-2,3-dimethylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]pyrimidin-4-amine;4-ethoxy-6-[4-[3-(3-methylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]pyrimidin-2-amine;4-ethoxy-6-[4-[3-(5,6,7,8-tetrahydronaphthalen-1-ylamino)-1H-1,2,4-triazol-5-yl]phenoxy]pyrimidin-2-amine;6-[4-[3-(3-methylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]-2-methylsulfanylpyrimidin-4-amine;4-[4-[3-(3-methylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]pyrimidin-2-amine;6-[4-[3-(3-methylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]pyrimidin-4-amine?
5-[4-(2-aminopyrimidin-4-yl)oxyphenyl]-N-(3-methylphenyl)-1,3,4-oxadiazol-2-amine;5-[4-(6-aminopyrimidin-4-yl)oxyphenyl]-N-(3-methylphenyl)-1,3,4-oxadiazol-2-amine;4-[4-[3-(4-chloro-3,5-dimethylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]-6-ethoxypyrimidin-2-amine;4-[4-[3-(2,3-dimethylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]-6-ethoxypyrimidin-2-amine;4-[4-[3-(3,4-dimethylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]-6-ethoxypyrimidin-2-amine;4-[4-[3-(3,5-dimethylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]-6-ethoxypyrimidin-2-amine;2-ethoxy-6-[4-[3-(4-fluoro-2,3-dimethylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]pyrimidin-4-amine;4-ethoxy-6-[4-[3-(3-methylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]pyrimidin-2-amine;4-ethoxy-6-[4-[3-(5,6,7,8-tetrahydronaphthalen-1-ylamino)-1H-1,2,4-triazol-5-yl]phenoxy]pyrimidin-2-amine;6-[4-[3-(3-methylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]-2-methylsulfanylpyrimidin-4-amine;4-[4-[3-(3-methylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]pyrimidin-2-amine;6-[4-[3-(3-methylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]pyrimidin-4-amine has a molecular weight of 4831.78 g/mol, XLogP of 51.21, 75 rotatable bonds, 34 hydrogen bond donors, and 94 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(2-aminopyrimidin-4-yl)oxyphenyl]-N-(3-methylphenyl)-1,3,4-oxadiazol-2-amine;5-[4-(6-aminopyrimidin-4-yl)oxyphenyl]-N-(3-methylphenyl)-1,3,4-oxadiazol-2-amine;4-[4-[3-(4-chloro-3,5-dimethylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]-6-ethoxypyrimidin-2-amine;4-[4-[3-(2,3-dimethylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]-6-ethoxypyrimidin-2-amine;4-[4-[3-(3,4-dimethylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]-6-ethoxypyrimidin-2-amine;4-[4-[3-(3,5-dimethylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]-6-ethoxypyrimidin-2-amine;2-ethoxy-6-[4-[3-(4-fluoro-2,3-dimethylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]pyrimidin-4-amine;4-ethoxy-6-[4-[3-(3-methylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]pyrimidin-2-amine;4-ethoxy-6-[4-[3-(5,6,7,8-tetrahydronaphthalen-1-ylamino)-1H-1,2,4-triazol-5-yl]phenoxy]pyrimidin-2-amine;6-[4-[3-(3-methylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]-2-methylsulfanylpyrimidin-4-amine;4-[4-[3-(3-methylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]pyrimidin-2-amine;6-[4-[3-(3-methylanilino)-1H-1,2,4-triazol-5-yl]phenoxy]pyrimidin-4-amine is sourced from PubChem (CID 157272681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).