6-[[4-(1,3-benzodioxol-5-ylamino)-5-(trifluoromethyl)pyrimidin-2-yl]amino]-3,4-dihydro-1H-quinolin-2-one;4-N-(1,3-benzodioxol-5-yl)-2-N-(2,3-dihydro-1-benzofuran-5-yl)-5-(trifluoromethyl)pyrimidine-2,4-diamine;5-bromo-4-[2-(methoxymethyl)phenoxy]-N-(3,4,5-trimethoxyphenyl)pyrimidin-2-amine;5-bromo-4-N-phenyl-2-N-(3,4,5-trimethoxyphenyl)pyrimidine-2,4-diamine;[2-[[5-bromo-2-(3,4,5-trimethoxyanilino)pyrimidin-4-yl]amino]phenyl]methanol;2-[5-bromo-2-(3,4,5-trimethoxyanilino)pyrimidin-4-yl]oxybenzamide;2-[5-bromo-2-(3,4,5-trimethoxyanilino)pyrimidin-4-yl]oxy-6-hydroxy-N-methylbenzamide;2-[2-[5-bromo-2-(3,4,5-trimethoxyanilino)pyrimidin-4-yl]oxyphenyl]-1-cyclopropylethanone;1-[2-[5-bromo-2-(3,4,5-trimethoxyanilino)pyrimidin-4-yl]oxyphenyl]propan-1-one;6-[[4-(cyclopropylamino)-5-(trifluoromethyl)pyrimidin-2-yl]amino]-3,4-dihydro-1H-quinolin-2-one;4-N-cyclopropyl-2-N-(1H-indol-5-yl)-5-(trifluoromethyl)pyrimidine-2,4-diamine;methyl 2-[2-[5-bromo-2-(3,4,5-trimethoxyanilino)pyrimidin-4-yl]oxyphenyl]acetate

C243H231Br8F12N47O46 — CID 157402174

IUPAC6-[[4-(1,3-benzodioxol-5-ylamino)-5-(trifluoromethyl)pyrimidin-2-yl]amino]-3,4-dihydro-1H-quinolin-2-one;4-N-(1,3-benzodioxol-5-yl)-2-N-(2,3-dihydro-1-benzofuran-5-yl)-5-(trifluoromethyl)pyrimidine-2,4-diamine;5-bromo-4-[2-(methoxymethyl)phenoxy]-N-(3,4,5-trimethoxyphenyl)pyrimidin-2-amine;5-bromo-4-N-phenyl-2-N-(3,4,5-trimethoxyphenyl)pyrimidine-2,4-diamine;[2-[[5-bromo-2-(3,4,5-trimethoxyanilino)pyrimidin-4-yl]amino]phenyl]methanol;2-[5-bromo-2-(3,4,5-trimethoxyanilino)pyrimidin-4-yl]oxybenzamide;2-[5-bromo-2-(3,4,5-trimethoxyanilino)pyrimidin-4-yl]oxy-6-hydroxy-N-methylbenzamide;2-[2-[5-bromo-2-(3,4,5-trimethoxyanilino)pyrimidin-4-yl]oxyphenyl]-1-cyclopropylethanone;1-[2-[5-bromo-2-(3,4,5-trimethoxyanilino)pyrimidin-4-yl]oxyphenyl]propan-1-one;6-[[4-(cyclopropylamino)-5-(trifluoromethyl)pyrimidin-2-yl]amino]-3,4-dihydro-1H-quinolin-2-one;4-N-cyclopropyl-2-N-(1H-indol-5-yl)-5-(trifluoromethyl)pyrimidine-2,4-diamine;methyl 2-[2-[5-bromo-2-(3,4,5-trimethoxyanilino)pyrimidin-4-yl]oxyphenyl]acetate
SMILESCCC(=O)c1ccccc1Oc1nc(Nc2cc(OC)c(OC)c(OC)c2)ncc1Br.CNC(=O)c1c(O)cccc1Oc1nc(Nc2cc(OC)c(OC)c(OC)c2)ncc1Br.COC(=O)Cc1ccccc1Oc1nc(Nc2cc(OC)c(OC)c(OC)c2)ncc1Br.COCc1ccccc1Oc1nc(Nc2cc(OC)c(OC)c(OC)c2)ncc1Br.COc1cc(Nc2ncc(Br)c(Nc3ccccc3)n2)cc(OC)c1OC.COc1cc(Nc2ncc(Br)c(Nc3ccccc3CO)n2)cc(OC)c1OC.COc1cc(Nc2ncc(Br)c(Oc3ccccc3C(N)=O)n2)cc(OC)c1OC.COc1cc(Nc2ncc(Br)c(Oc3ccccc3CC(=O)C3CC3)n2)cc(OC)c1OC.FC(F)(F)c1cnc(Nc2ccc3[nH]ccc3c2)nc1NC1CC1.FC(F)(F)c1cnc(Nc2ccc3c(c2)CCO3)nc1Nc1ccc2c(c1)OCO2.O=C1CCc2cc(Nc3ncc(C(F)(F)F)c(NC4CC4)n3)ccc2N1.O=C1CCc2cc(Nc3ncc(C(F)(F)F)c(Nc4ccc5c(c4)OCO5)n3)ccc2N1
InChIInChI=1S/C24H24BrN3O5.C22H22BrN3O6.C22H22BrN3O5.C21H21BrN4O6.C21H22BrN3O5.C21H16F3N5O3.C20H19BrN4O5.C20H21BrN4O4.C20H15F3N4O3.C19H19BrN4O3.C17H16F3N5O.C16H14F3N5/c1-30-20-11-16(12-21(31-2)22(20)32-3)27-24-26-13-17(25)23(28-24)33-19-7-5-4-6-15(19)10-18(29)14-8-9-14;1-28-17-10-14(11-18(29-2)20(17)31-4)25-22-24-12-15(23)21(26-22)32-16-8-6-5-7-13(16)9-19(27)30-3;1-5-16(27)14-8-6-7-9-17(14)31-21-15(23)12-24-22(26-21)25-13-10-18(28-2)20(30-4)19(11-13)29-3;1-23-19(28)17-13(27)6-5-7-14(17)32-20-12(22)10-24-21(26-20)25-11-8-15(29-2)18(31-4)16(9-11)30-3;1-26-12-13-7-5-6-8-16(13)30-20-15(22)11-23-21(25-20)24-14-9-17(27-2)19(29-4)18(10-14)28-3;22-21(23,24)14-9-25-20(27-12-2-4-15-11(7-12)1-6-18(30)28-15)29-19(14)26-13-3-5-16-17(8-13)32-10-31-16;1-27-15-8-11(9-16(28-2)17(15)29-3)24-20-23-10-13(21)19(25-20)30-14-7-5-4-6-12(14)18(22)26;1-27-16-8-13(9-17(28-2)18(16)29-3)23-20-22-10-14(21)19(25-20)24-15-7-5-4-6-12(15)11-26;21-20(22,23)14-9-24-19(26-12-1-3-15-11(7-12)5-6-28-15)27-18(14)25-13-2-4-16-17(8-13)30-10-29-16;1-25-15-9-13(10-16(26-2)17(15)27-3)23-19-21-11-14(20)18(24-19)22-12-7-5-4-6-8-12;18-17(19,20)12-8-21-16(25-15(12)22-10-2-3-10)23-11-4-5-13-9(7-11)1-6-14(26)24-13;17-16(18,19)12-8-21-15(24-14(12)22-10-1-2-10)23-11-3-4-13-9(7-11)5-6-20-13/h4-7,11-14H,8-10H2,1-3H3,(H,26,27,28);5-8,10-12H,9H2,1-4H3,(H,24,25,26);6-12H,5H2,1-4H3,(H,24,25,26);5-10,27H,1-4H3,(H,23,28)(H,24,25,26);5-11H,12H2,1-4H3,(H,23,24,25);2-5,7-9H,1,6,10H2,(H,28,30)(H2,25,26,27,29);4-10H,1-3H3,(H2,22,26)(H,23,24,25);4-10,26H,11H2,1-3H3,(H2,22,23,24,25);1-4,7-9H,5-6,10H2,(H2,24,25,26,27);4-11H,1-3H3,(H2,21,22,23,24);4-5,7-8,10H,1-3,6H2,(H,24,26)(H2,21,22,23,25);3-8,10,20H,1-2H2,(H2,21,22,23,24)
InChIKeyBNHLYLUXGYKOFP-UHFFFAOYSA-N
MW5413.01 g/mol
LogP54.18
Rot. Bonds84

About 6-[[4-(1,3-benzodioxol-5-ylamino)-5-(trifluoromethyl)pyrimidin-2-yl]amino]-3,4-dihydro-1H-quinolin-2-one;4-N-(1,3-benzodioxol-5-yl)-2-N-(2,3-dihydro-1-benzofuran-5-yl)-5-(trifluoromethyl)pyrimidine-2,4-diamine;5-bromo-4-[2-(methoxymethyl)phenoxy]-N-(3,4,5-trimethoxyphenyl)pyrimidin-2-amine;5-bromo-4-N-phenyl-2-N-(3,4,5-trimethoxyphenyl)pyrimidine-2,4-diamine;[2-[[5-bromo-2-(3,4,5-trimethoxyanilino)pyrimidin-4-yl]amino]phenyl]methanol;2-[5-bromo-2-(3,4,5-trimethoxyanilino)pyrimidin-4-yl]oxybenzamide;2-[5-bromo-2-(3,4,5-trimethoxyanilino)pyrimidin-4-yl]oxy-6-hydroxy-N-methylbenzamide;2-[2-[5-bromo-2-(3,4,5-trimethoxyanilino)pyrimidin-4-yl]oxyphenyl]-1-cyclopropylethanone;1-[2-[5-bromo-2-(3,4,5-trimethoxyanilino)pyrimidin-4-yl]oxyphenyl]propan-1-one;6-[[4-(cyclopropylamino)-5-(trifluoromethyl)pyrimidin-2-yl]amino]-3,4-dihydro-1H-quinolin-2-one;4-N-cyclopropyl-2-N-(1H-indol-5-yl)-5-(trifluoromethyl)pyrimidine-2,4-diamine;methyl 2-[2-[5-bromo-2-(3,4,5-trimethoxyanilino)pyrimidin-4-yl]oxyphenyl]acetate

6-[[4-(1,3-benzodioxol-5-ylamino)-5-(trifluoromethyl)pyrimidin-2-yl]amino]-3,4-dihydro-1H-quinolin-2-one;4-N-(1,3-benzodioxol-5-yl)-2-N-(2,3-dihydro-1-benzofuran-5-yl)-5-(trifluoromethyl)pyrimidine-2,4-diamine;5-bromo-4-[2-(methoxymethyl)phenoxy]-N-(3,4,5-trimethoxyphenyl)pyrimidin-2-amine;5-bromo-4-N-phenyl-2-N-(3,4,5-trimethoxyphenyl)pyrimidine-2,4-diamine;[2-[[5-bromo-2-(3,4,5-trimethoxyanilino)pyrimidin-4-yl]amino]phenyl]methanol;2-[5-bromo-2-(3,4,5-trimethoxyanilino)pyrimidin-4-yl]oxybenzamide;2-[5-bromo-2-(3,4,5-trimethoxyanilino)pyrimidin-4-yl]oxy-6-hydroxy-N-methylbenzamide;2-[2-[5-bromo-2-(3,4,5-trimethoxyanilino)pyrimidin-4-yl]oxyphenyl]-1-cyclopropylethanone;1-[2-[5-bromo-2-(3,4,5-trimethoxyanilino)pyrimidin-4-yl]oxyphenyl]propan-1-one;6-[[4-(cyclopropylamino)-5-(trifluoromethyl)pyrimidin-2-yl]amino]-3,4-dihydro-1H-quinolin-2-one;4-N-cyclopropyl-2-N-(1H-indol-5-yl)-5-(trifluoromethyl)pyrimidine-2,4-diamine;methyl 2-[2-[5-bromo-2-(3,4,5-trimethoxyanilino)pyrimidin-4-yl]oxyphenyl]acetate (PubChem CID 157402174) has the molecular formula C243H231Br8F12N47O46 and a molecular weight of 5413.01 g/mol. Its IUPAC name is 6-[[4-(1,3-benzodioxol-5-ylamino)-5-(trifluoromethyl)pyrimidin-2-yl]amino]-3,4-dihydro-1H-quinolin-2-one;4-N-(1,3-benzodioxol-5-yl)-2-N-(2,3-dihydro-1-benzofuran-5-yl)-5-(trifluoromethyl)pyrimidine-2,4-diamine;5-bromo-4-[2-(methoxymethyl)phenoxy]-N-(3,4,5-trimethoxyphenyl)pyrimidin-2-amine;5-bromo-4-N-phenyl-2-N-(3,4,5-trimethoxyphenyl)pyrimidine-2,4-diamine;[2-[[5-bromo-2-(3,4,5-trimethoxyanilino)pyrimidin-4-yl]amino]phenyl]methanol;2-[5-bromo-2-(3,4,5-trimethoxyanilino)pyrimidin-4-yl]oxybenzamide;2-[5-bromo-2-(3,4,5-trimethoxyanilino)pyrimidin-4-yl]oxy-6-hydroxy-N-methylbenzamide;2-[2-[5-bromo-2-(3,4,5-trimethoxyanilino)pyrimidin-4-yl]oxyphenyl]-1-cyclopropylethanone;1-[2-[5-bromo-2-(3,4,5-trimethoxyanilino)pyrimidin-4-yl]oxyphenyl]propan-1-one;6-[[4-(cyclopropylamino)-5-(trifluoromethyl)pyrimidin-2-yl]amino]-3,4-dihydro-1H-quinolin-2-one;4-N-cyclopropyl-2-N-(1H-indol-5-yl)-5-(trifluoromethyl)pyrimidine-2,4-diamine;methyl 2-[2-[5-bromo-2-(3,4,5-trimethoxyanilino)pyrimidin-4-yl]oxyphenyl]acetate.

Molecular Properties

Compound Name6-[[4-(1,3-benzodioxol-5-ylamino)-5-(trifluoromethyl)pyrimidin-2-yl]amino]-3,4-dihydro-1H-quinolin-2-one;4-N-(1,3-benzodioxol-5-yl)-2-N-(2,3-dihydro-1-benzofuran-5-yl)-5-(trifluoromethyl)pyrimidine-2,4-diamine;5-bromo-4-[2-(methoxymethyl)phenoxy]-N-(3,4,5-trimethoxyphenyl)pyrimidin-2-amine;5-bromo-4-N-phenyl-2-N-(3,4,5-trimethoxyphenyl)pyrimidine-2,4-diamine;[2-[[5-bromo-2-(3,4,5-trimethoxyanilino)pyrimidin-4-yl]amino]phenyl]methanol;2-[5-bromo-2-(3,4,5-trimethoxyanilino)pyrimidin-4-yl]oxybenzamide;2-[5-bromo-2-(3,4,5-trimethoxyanilino)pyrimidin-4-yl]oxy-6-hydroxy-N-methylbenzamide;2-[2-[5-bromo-2-(3,4,5-trimethoxyanilino)pyrimidin-4-yl]oxyphenyl]-1-cyclopropylethanone;1-[2-[5-bromo-2-(3,4,5-trimethoxyanilino)pyrimidin-4-yl]oxyphenyl]propan-1-one;6-[[4-(cyclopropylamino)-5-(trifluoromethyl)pyrimidin-2-yl]amino]-3,4-dihydro-1H-quinolin-2-one;4-N-cyclopropyl-2-N-(1H-indol-5-yl)-5-(trifluoromethyl)pyrimidine-2,4-diamine;methyl 2-[2-[5-bromo-2-(3,4,5-trimethoxyanilino)pyrimidin-4-yl]oxyphenyl]acetate
PubChem CID157402174
Molecular FormulaC243H231Br8F12N47O46
Molecular Weight5413.01 g/mol
Exact Mass5402.05
IUPAC Name6-[[4-(1,3-benzodioxol-5-ylamino)-5-(trifluoromethyl)pyrimidin-2-yl]amino]-3,4-dihydro-1H-quinolin-2-one;4-N-(1,3-benzodioxol-5-yl)-2-N-(2,3-dihydro-1-benzofuran-5-yl)-5-(trifluoromethyl)pyrimidine-2,4-diamine;5-bromo-4-[2-(methoxymethyl)phenoxy]-N-(3,4,5-trimethoxyphenyl)pyrimidin-2-amine;5-bromo-4-N-phenyl-2-N-(3,4,5-trimethoxyphenyl)pyrimidine-2,4-diamine;[2-[[5-bromo-2-(3,4,5-trimethoxyanilino)pyrimidin-4-yl]amino]phenyl]methanol;2-[5-bromo-2-(3,4,5-trimethoxyanilino)pyrimidin-4-yl]oxybenzamide;2-[5-bromo-2-(3,4,5-trimethoxyanilino)pyrimidin-4-yl]oxy-6-hydroxy-N-methylbenzamide;2-[2-[5-bromo-2-(3,4,5-trimethoxyanilino)pyrimidin-4-yl]oxyphenyl]-1-cyclopropylethanone;1-[2-[5-bromo-2-(3,4,5-trimethoxyanilino)pyrimidin-4-yl]oxyphenyl]propan-1-one;6-[[4-(cyclopropylamino)-5-(trifluoromethyl)pyrimidin-2-yl]amino]-3,4-dihydro-1H-quinolin-2-one;4-N-cyclopropyl-2-N-(1H-indol-5-yl)-5-(trifluoromethyl)pyrimidine-2,4-diamine;methyl 2-[2-[5-bromo-2-(3,4,5-trimethoxyanilino)pyrimidin-4-yl]oxyphenyl]acetate
SMILESCCC(=O)c1ccccc1Oc1nc(Nc2cc(OC)c(OC)c(OC)c2)ncc1Br.CNC(=O)c1c(O)cccc1Oc1nc(Nc2cc(OC)c(OC)c(OC)c2)ncc1Br.COC(=O)Cc1ccccc1Oc1nc(Nc2cc(OC)c(OC)c(OC)c2)ncc1Br.COCc1ccccc1Oc1nc(Nc2cc(OC)c(OC)c(OC)c2)ncc1Br.COc1cc(Nc2ncc(Br)c(Nc3ccccc3)n2)cc(OC)c1OC.COc1cc(Nc2ncc(Br)c(Nc3ccccc3CO)n2)cc(OC)c1OC.COc1cc(Nc2ncc(Br)c(Oc3ccccc3C(N)=O)n2)cc(OC)c1OC.COc1cc(Nc2ncc(Br)c(Oc3ccccc3CC(=O)C3CC3)n2)cc(OC)c1OC.FC(F)(F)c1cnc(Nc2ccc3[nH]ccc3c2)nc1NC1CC1.FC(F)(F)c1cnc(Nc2ccc3c(c2)CCO3)nc1Nc1ccc2c(c1)OCO2.O=C1CCc2cc(Nc3ncc(C(F)(F)F)c(NC4CC4)n3)ccc2N1.O=C1CCc2cc(Nc3ncc(C(F)(F)F)c(Nc4ccc5c(c4)OCO5)n3)ccc2N1
InChIInChI=1S/C24H24BrN3O5.C22H22BrN3O6.C22H22BrN3O5.C21H21BrN4O6.C21H22BrN3O5.C21H16F3N5O3.C20H19BrN4O5.C20H21BrN4O4.C20H15F3N4O3.C19H19BrN4O3.C17H16F3N5O.C16H14F3N5/c1-30-20-11-16(12-21(31-2)22(20)32-3)27-24-26-13-17(25)23(28-24)33-19-7-5-4-6-15(19)10-18(29)14-8-9-14;1-28-17-10-14(11-18(29-2)20(17)31-4)25-22-24-12-15(23)21(26-22)32-16-8-6-5-7-13(16)9-19(27)30-3;1-5-16(27)14-8-6-7-9-17(14)31-21-15(23)12-24-22(26-21)25-13-10-18(28-2)20(30-4)19(11-13)29-3;1-23-19(28)17-13(27)6-5-7-14(17)32-20-12(22)10-24-21(26-20)25-11-8-15(29-2)18(31-4)16(9-11)30-3;1-26-12-13-7-5-6-8-16(13)30-20-15(22)11-23-21(25-20)24-14-9-17(27-2)19(29-4)18(10-14)28-3;22-21(23,24)14-9-25-20(27-12-2-4-15-11(7-12)1-6-18(30)28-15)29-19(14)26-13-3-5-16-17(8-13)32-10-31-16;1-27-15-8-11(9-16(28-2)17(15)29-3)24-20-23-10-13(21)19(25-20)30-14-7-5-4-6-12(14)18(22)26;1-27-16-8-13(9-17(28-2)18(16)29-3)23-20-22-10-14(21)19(25-20)24-15-7-5-4-6-12(15)11-26;21-20(22,23)14-9-24-19(26-12-1-3-15-11(7-12)5-6-28-15)27-18(14)25-13-2-4-16-17(8-13)30-10-29-16;1-25-15-9-13(10-16(26-2)17(15)27-3)23-19-21-11-14(20)18(24-19)22-12-7-5-4-6-8-12;18-17(19,20)12-8-21-16(25-15(12)22-10-2-3-10)23-11-4-5-13-9(7-11)1-6-14(26)24-13;17-16(18,19)12-8-21-15(24-14(12)22-10-1-2-10)23-11-3-4-13-9(7-11)5-6-20-13/h4-7,11-14H,8-10H2,1-3H3,(H,26,27,28);5-8,10-12H,9H2,1-4H3,(H,24,25,26);6-12H,5H2,1-4H3,(H,24,25,26);5-10,27H,1-4H3,(H,23,28)(H,24,25,26);5-11H,12H2,1-4H3,(H,23,24,25);2-5,7-9H,1,6,10H2,(H,28,30)(H2,25,26,27,29);4-10H,1-3H3,(H2,22,26)(H,23,24,25);4-10,26H,11H2,1-3H3,(H2,22,23,24,25);1-4,7-9H,5-6,10H2,(H2,24,25,26,27);4-11H,1-3H3,(H2,21,22,23,24);4-5,7-8,10H,1-3,6H2,(H,24,26)(H2,21,22,23,25);3-8,10,20H,1-2H2,(H2,21,22,23,24)
InChIKeyBNHLYLUXGYKOFP-UHFFFAOYSA-N
XLogP54.18
TPSA1105.26 Ų
H-Bond Donors25
H-Bond Acceptors88
Rotatable Bonds84
Heavy Atoms356
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5005413.01
LogP ≤ 554.18
H-Bond Donors ≤ 525
H-Bond Acceptors ≤ 1088

Analyze 6-[[4-(1,3-benzodioxol-5-ylamino)-5-(trifluoromethyl)pyrimidin-2-yl]amino]-3,4-dihydro-1H-quinolin-2-one;4-N-(1,3-benzodioxol-5-yl)-2-N-(2,3-dihydro-1-benzofuran-5-yl)-5-(trifluoromethyl)pyrimidine-2,4-diamine;5-bromo-4-[2-(methoxymethyl)phenoxy]-N-(3,4,5-trimethoxyphenyl)pyrimidin-2-amine;5-bromo-4-N-phenyl-2-N-(3,4,5-trimethoxyphenyl)pyrimidine-2,4-diamine;[2-[[5-bromo-2-(3,4,5-trimethoxyanilino)pyrimidin-4-yl]amino]phenyl]methanol;2-[5-bromo-2-(3,4,5-trimethoxyanilino)pyrimidin-4-yl]oxybenzamide;2-[5-bromo-2-(3,4,5-trimethoxyanilino)pyrimidin-4-yl]oxy-6-hydroxy-N-methylbenzamide;2-[2-[5-bromo-2-(3,4,5-trimethoxyanilino)pyrimidin-4-yl]oxyphenyl]-1-cyclopropylethanone;1-[2-[5-bromo-2-(3,4,5-trimethoxyanilino)pyrimidin-4-yl]oxyphenyl]propan-1-one;6-[[4-(cyclopropylamino)-5-(trifluoromethyl)pyrimidin-2-yl]amino]-3,4-dihydro-1H-quinolin-2-one;4-N-cyclopropyl-2-N-(1H-indol-5-yl)-5-(trifluoromethyl)pyrimidine-2,4-diamine;methyl 2-[2-[5-bromo-2-(3,4,5-trimethoxyanilino)pyrimidin-4-yl]oxyphenyl]acetate with MolForge

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What is the IUPAC name of 6-[[4-(1,3-benzodioxol-5-ylamino)-5-(trifluoromethyl)pyrimidin-2-yl]amino]-3,4-dihydro-1H-quinolin-2-one;4-N-(1,3-benzodioxol-5-yl)-2-N-(2,3-dihydro-1-benzofuran-5-yl)-5-(trifluoromethyl)pyrimidine-2,4-diamine;5-bromo-4-[2-(methoxymethyl)phenoxy]-N-(3,4,5-trimethoxyphenyl)pyrimidin-2-amine;5-bromo-4-N-phenyl-2-N-(3,4,5-trimethoxyphenyl)pyrimidine-2,4-diamine;[2-[[5-bromo-2-(3,4,5-trimethoxyanilino)pyrimidin-4-yl]amino]phenyl]methanol;2-[5-bromo-2-(3,4,5-trimethoxyanilino)pyrimidin-4-yl]oxybenzamide;2-[5-bromo-2-(3,4,5-trimethoxyanilino)pyrimidin-4-yl]oxy-6-hydroxy-N-methylbenzamide;2-[2-[5-bromo-2-(3,4,5-trimethoxyanilino)pyrimidin-4-yl]oxyphenyl]-1-cyclopropylethanone;1-[2-[5-bromo-2-(3,4,5-trimethoxyanilino)pyrimidin-4-yl]oxyphenyl]propan-1-one;6-[[4-(cyclopropylamino)-5-(trifluoromethyl)pyrimidin-2-yl]amino]-3,4-dihydro-1H-quinolin-2-one;4-N-cyclopropyl-2-N-(1H-indol-5-yl)-5-(trifluoromethyl)pyrimidine-2,4-diamine;methyl 2-[2-[5-bromo-2-(3,4,5-trimethoxyanilino)pyrimidin-4-yl]oxyphenyl]acetate?
The IUPAC name of 6-[[4-(1,3-benzodioxol-5-ylamino)-5-(trifluoromethyl)pyrimidin-2-yl]amino]-3,4-dihydro-1H-quinolin-2-one;4-N-(1,3-benzodioxol-5-yl)-2-N-(2,3-dihydro-1-benzofuran-5-yl)-5-(trifluoromethyl)pyrimidine-2,4-diamine;5-bromo-4-[2-(methoxymethyl)phenoxy]-N-(3,4,5-trimethoxyphenyl)pyrimidin-2-amine;5-bromo-4-N-phenyl-2-N-(3,4,5-trimethoxyphenyl)pyrimidine-2,4-diamine;[2-[[5-bromo-2-(3,4,5-trimethoxyanilino)pyrimidin-4-yl]amino]phenyl]methanol;2-[5-bromo-2-(3,4,5-trimethoxyanilino)pyrimidin-4-yl]oxybenzamide;2-[5-bromo-2-(3,4,5-trimethoxyanilino)pyrimidin-4-yl]oxy-6-hydroxy-N-methylbenzamide;2-[2-[5-bromo-2-(3,4,5-trimethoxyanilino)pyrimidin-4-yl]oxyphenyl]-1-cyclopropylethanone;1-[2-[5-bromo-2-(3,4,5-trimethoxyanilino)pyrimidin-4-yl]oxyphenyl]propan-1-one;6-[[4-(cyclopropylamino)-5-(trifluoromethyl)pyrimidin-2-yl]amino]-3,4-dihydro-1H-quinolin-2-one;4-N-cyclopropyl-2-N-(1H-indol-5-yl)-5-(trifluoromethyl)pyrimidine-2,4-diamine;methyl 2-[2-[5-bromo-2-(3,4,5-trimethoxyanilino)pyrimidin-4-yl]oxyphenyl]acetate (CID 157402174) is 6-[[4-(1,3-benzodioxol-5-ylamino)-5-(trifluoromethyl)pyrimidin-2-yl]amino]-3,4-dihydro-1H-quinolin-2-one;4-N-(1,3-benzodioxol-5-yl)-2-N-(2,3-dihydro-1-benzofuran-5-yl)-5-(trifluoromethyl)pyrimidine-2,4-diamine;5-bromo-4-[2-(methoxymethyl)phenoxy]-N-(3,4,5-trimethoxyphenyl)pyrimidin-2-amine;5-bromo-4-N-phenyl-2-N-(3,4,5-trimethoxyphenyl)pyrimidine-2,4-diamine;[2-[[5-bromo-2-(3,4,5-trimethoxyanilino)pyrimidin-4-yl]amino]phenyl]methanol;2-[5-bromo-2-(3,4,5-trimethoxyanilino)pyrimidin-4-yl]oxybenzamide;2-[5-bromo-2-(3,4,5-trimethoxyanilino)pyrimidin-4-yl]oxy-6-hydroxy-N-methylbenzamide;2-[2-[5-bromo-2-(3,4,5-trimethoxyanilino)pyrimidin-4-yl]oxyphenyl]-1-cyclopropylethanone;1-[2-[5-bromo-2-(3,4,5-trimethoxyanilino)pyrimidin-4-yl]oxyphenyl]propan-1-one;6-[[4-(cyclopropylamino)-5-(trifluoromethyl)pyrimidin-2-yl]amino]-3,4-dihydro-1H-quinolin-2-one;4-N-cyclopropyl-2-N-(1H-indol-5-yl)-5-(trifluoromethyl)pyrimidine-2,4-diamine;methyl 2-[2-[5-bromo-2-(3,4,5-trimethoxyanilino)pyrimidin-4-yl]oxyphenyl]acetate.
What is the SMILES notation for 6-[[4-(1,3-benzodioxol-5-ylamino)-5-(trifluoromethyl)pyrimidin-2-yl]amino]-3,4-dihydro-1H-quinolin-2-one;4-N-(1,3-benzodioxol-5-yl)-2-N-(2,3-dihydro-1-benzofuran-5-yl)-5-(trifluoromethyl)pyrimidine-2,4-diamine;5-bromo-4-[2-(methoxymethyl)phenoxy]-N-(3,4,5-trimethoxyphenyl)pyrimidin-2-amine;5-bromo-4-N-phenyl-2-N-(3,4,5-trimethoxyphenyl)pyrimidine-2,4-diamine;[2-[[5-bromo-2-(3,4,5-trimethoxyanilino)pyrimidin-4-yl]amino]phenyl]methanol;2-[5-bromo-2-(3,4,5-trimethoxyanilino)pyrimidin-4-yl]oxybenzamide;2-[5-bromo-2-(3,4,5-trimethoxyanilino)pyrimidin-4-yl]oxy-6-hydroxy-N-methylbenzamide;2-[2-[5-bromo-2-(3,4,5-trimethoxyanilino)pyrimidin-4-yl]oxyphenyl]-1-cyclopropylethanone;1-[2-[5-bromo-2-(3,4,5-trimethoxyanilino)pyrimidin-4-yl]oxyphenyl]propan-1-one;6-[[4-(cyclopropylamino)-5-(trifluoromethyl)pyrimidin-2-yl]amino]-3,4-dihydro-1H-quinolin-2-one;4-N-cyclopropyl-2-N-(1H-indol-5-yl)-5-(trifluoromethyl)pyrimidine-2,4-diamine;methyl 2-[2-[5-bromo-2-(3,4,5-trimethoxyanilino)pyrimidin-4-yl]oxyphenyl]acetate?
The canonical SMILES for 6-[[4-(1,3-benzodioxol-5-ylamino)-5-(trifluoromethyl)pyrimidin-2-yl]amino]-3,4-dihydro-1H-quinolin-2-one;4-N-(1,3-benzodioxol-5-yl)-2-N-(2,3-dihydro-1-benzofuran-5-yl)-5-(trifluoromethyl)pyrimidine-2,4-diamine;5-bromo-4-[2-(methoxymethyl)phenoxy]-N-(3,4,5-trimethoxyphenyl)pyrimidin-2-amine;5-bromo-4-N-phenyl-2-N-(3,4,5-trimethoxyphenyl)pyrimidine-2,4-diamine;[2-[[5-bromo-2-(3,4,5-trimethoxyanilino)pyrimidin-4-yl]amino]phenyl]methanol;2-[5-bromo-2-(3,4,5-trimethoxyanilino)pyrimidin-4-yl]oxybenzamide;2-[5-bromo-2-(3,4,5-trimethoxyanilino)pyrimidin-4-yl]oxy-6-hydroxy-N-methylbenzamide;2-[2-[5-bromo-2-(3,4,5-trimethoxyanilino)pyrimidin-4-yl]oxyphenyl]-1-cyclopropylethanone;1-[2-[5-bromo-2-(3,4,5-trimethoxyanilino)pyrimidin-4-yl]oxyphenyl]propan-1-one;6-[[4-(cyclopropylamino)-5-(trifluoromethyl)pyrimidin-2-yl]amino]-3,4-dihydro-1H-quinolin-2-one;4-N-cyclopropyl-2-N-(1H-indol-5-yl)-5-(trifluoromethyl)pyrimidine-2,4-diamine;methyl 2-[2-[5-bromo-2-(3,4,5-trimethoxyanilino)pyrimidin-4-yl]oxyphenyl]acetate is CCC(=O)c1ccccc1Oc1nc(Nc2cc(OC)c(OC)c(OC)c2)ncc1Br.CNC(=O)c1c(O)cccc1Oc1nc(Nc2cc(OC)c(OC)c(OC)c2)ncc1Br.COC(=O)Cc1ccccc1Oc1nc(Nc2cc(OC)c(OC)c(OC)c2)ncc1Br.COCc1ccccc1Oc1nc(Nc2cc(OC)c(OC)c(OC)c2)ncc1Br.COc1cc(Nc2ncc(Br)c(Nc3ccccc3)n2)cc(OC)c1OC.COc1cc(Nc2ncc(Br)c(Nc3ccccc3CO)n2)cc(OC)c1OC.COc1cc(Nc2ncc(Br)c(Oc3ccccc3C(N)=O)n2)cc(OC)c1OC.COc1cc(Nc2ncc(Br)c(Oc3ccccc3CC(=O)C3CC3)n2)cc(OC)c1OC.FC(F)(F)c1cnc(Nc2ccc3[nH]ccc3c2)nc1NC1CC1.FC(F)(F)c1cnc(Nc2ccc3c(c2)CCO3)nc1Nc1ccc2c(c1)OCO2.O=C1CCc2cc(Nc3ncc(C(F)(F)F)c(NC4CC4)n3)ccc2N1.O=C1CCc2cc(Nc3ncc(C(F)(F)F)c(Nc4ccc5c(c4)OCO5)n3)ccc2N1.
What is the InChIKey of 6-[[4-(1,3-benzodioxol-5-ylamino)-5-(trifluoromethyl)pyrimidin-2-yl]amino]-3,4-dihydro-1H-quinolin-2-one;4-N-(1,3-benzodioxol-5-yl)-2-N-(2,3-dihydro-1-benzofuran-5-yl)-5-(trifluoromethyl)pyrimidine-2,4-diamine;5-bromo-4-[2-(methoxymethyl)phenoxy]-N-(3,4,5-trimethoxyphenyl)pyrimidin-2-amine;5-bromo-4-N-phenyl-2-N-(3,4,5-trimethoxyphenyl)pyrimidine-2,4-diamine;[2-[[5-bromo-2-(3,4,5-trimethoxyanilino)pyrimidin-4-yl]amino]phenyl]methanol;2-[5-bromo-2-(3,4,5-trimethoxyanilino)pyrimidin-4-yl]oxybenzamide;2-[5-bromo-2-(3,4,5-trimethoxyanilino)pyrimidin-4-yl]oxy-6-hydroxy-N-methylbenzamide;2-[2-[5-bromo-2-(3,4,5-trimethoxyanilino)pyrimidin-4-yl]oxyphenyl]-1-cyclopropylethanone;1-[2-[5-bromo-2-(3,4,5-trimethoxyanilino)pyrimidin-4-yl]oxyphenyl]propan-1-one;6-[[4-(cyclopropylamino)-5-(trifluoromethyl)pyrimidin-2-yl]amino]-3,4-dihydro-1H-quinolin-2-one;4-N-cyclopropyl-2-N-(1H-indol-5-yl)-5-(trifluoromethyl)pyrimidine-2,4-diamine;methyl 2-[2-[5-bromo-2-(3,4,5-trimethoxyanilino)pyrimidin-4-yl]oxyphenyl]acetate?
The InChIKey is BNHLYLUXGYKOFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24BrN3O5.C22H22BrN3O6.C22H22BrN3O5.C21H21BrN4O6.C21H22BrN3O5.C21H16F3N5O3.C20H19BrN4O5.C20H21BrN4O4.C20H15F3N4O3.C19H19BrN4O3.C17H16F3N5O.C16H14F3N5/c1-30-20-11-16(12-21(31-2)22(20)32-3)27-24-26-13-17(25)23(28-24)33-19-7-5-4-6-15(19)10-18(29)14-8-9-14;1-28-17-10-14(11-18(29-2)20(17)31-4)25-22-24-12-15(23)21(26-22)32-16-8-6-5-7-13(16)9-19(27)30-3;1-5-16(27)14-8-6-7-9-17(14)31-21-15(23)12-24-22(26-21)25-13-10-18(28-2)20(30-4)19(11-13)29-3;1-23-19(28)17-13(27)6-5-7-14(17)32-20-12(22)10-24-21(26-20)25-11-8-15(29-2)18(31-4)16(9-11)30-3;1-26-12-13-7-5-6-8-16(13)30-20-15(22)11-23-21(25-20)24-14-9-17(27-2)19(29-4)18(10-14)28-3;22-21(23,24)14-9-25-20(27-12-2-4-15-11(7-12)1-6-18(30)28-15)29-19(14)26-13-3-5-16-17(8-13)32-10-31-16;1-27-15-8-11(9-16(28-2)17(15)29-3)24-20-23-10-13(21)19(25-20)30-14-7-5-4-6-12(14)18(22)26;1-27-16-8-13(9-17(28-2)18(16)29-3)23-20-22-10-14(21)19(25-20)24-15-7-5-4-6-12(15)11-26;21-20(22,23)14-9-24-19(26-12-1-3-15-11(7-12)5-6-28-15)27-18(14)25-13-2-4-16-17(8-13)30-10-29-16;1-25-15-9-13(10-16(26-2)17(15)27-3)23-19-21-11-14(20)18(24-19)22-12-7-5-4-6-8-12;18-17(19,20)12-8-21-16(25-15(12)22-10-2-3-10)23-11-4-5-13-9(7-11)1-6-14(26)24-13;17-16(18,19)12-8-21-15(24-14(12)22-10-1-2-10)23-11-3-4-13-9(7-11)5-6-20-13/h4-7,11-14H,8-10H2,1-3H3,(H,26,27,28);5-8,10-12H,9H2,1-4H3,(H,24,25,26);6-12H,5H2,1-4H3,(H,24,25,26);5-10,27H,1-4H3,(H,23,28)(H,24,25,26);5-11H,12H2,1-4H3,(H,23,24,25);2-5,7-9H,1,6,10H2,(H,28,30)(H2,25,26,27,29);4-10H,1-3H3,(H2,22,26)(H,23,24,25);4-10,26H,11H2,1-3H3,(H2,22,23,24,25);1-4,7-9H,5-6,10H2,(H2,24,25,26,27);4-11H,1-3H3,(H2,21,22,23,24);4-5,7-8,10H,1-3,6H2,(H,24,26)(H2,21,22,23,25);3-8,10,20H,1-2H2,(H2,21,22,23,24).
What are the key properties of 6-[[4-(1,3-benzodioxol-5-ylamino)-5-(trifluoromethyl)pyrimidin-2-yl]amino]-3,4-dihydro-1H-quinolin-2-one;4-N-(1,3-benzodioxol-5-yl)-2-N-(2,3-dihydro-1-benzofuran-5-yl)-5-(trifluoromethyl)pyrimidine-2,4-diamine;5-bromo-4-[2-(methoxymethyl)phenoxy]-N-(3,4,5-trimethoxyphenyl)pyrimidin-2-amine;5-bromo-4-N-phenyl-2-N-(3,4,5-trimethoxyphenyl)pyrimidine-2,4-diamine;[2-[[5-bromo-2-(3,4,5-trimethoxyanilino)pyrimidin-4-yl]amino]phenyl]methanol;2-[5-bromo-2-(3,4,5-trimethoxyanilino)pyrimidin-4-yl]oxybenzamide;2-[5-bromo-2-(3,4,5-trimethoxyanilino)pyrimidin-4-yl]oxy-6-hydroxy-N-methylbenzamide;2-[2-[5-bromo-2-(3,4,5-trimethoxyanilino)pyrimidin-4-yl]oxyphenyl]-1-cyclopropylethanone;1-[2-[5-bromo-2-(3,4,5-trimethoxyanilino)pyrimidin-4-yl]oxyphenyl]propan-1-one;6-[[4-(cyclopropylamino)-5-(trifluoromethyl)pyrimidin-2-yl]amino]-3,4-dihydro-1H-quinolin-2-one;4-N-cyclopropyl-2-N-(1H-indol-5-yl)-5-(trifluoromethyl)pyrimidine-2,4-diamine;methyl 2-[2-[5-bromo-2-(3,4,5-trimethoxyanilino)pyrimidin-4-yl]oxyphenyl]acetate?
6-[[4-(1,3-benzodioxol-5-ylamino)-5-(trifluoromethyl)pyrimidin-2-yl]amino]-3,4-dihydro-1H-quinolin-2-one;4-N-(1,3-benzodioxol-5-yl)-2-N-(2,3-dihydro-1-benzofuran-5-yl)-5-(trifluoromethyl)pyrimidine-2,4-diamine;5-bromo-4-[2-(methoxymethyl)phenoxy]-N-(3,4,5-trimethoxyphenyl)pyrimidin-2-amine;5-bromo-4-N-phenyl-2-N-(3,4,5-trimethoxyphenyl)pyrimidine-2,4-diamine;[2-[[5-bromo-2-(3,4,5-trimethoxyanilino)pyrimidin-4-yl]amino]phenyl]methanol;2-[5-bromo-2-(3,4,5-trimethoxyanilino)pyrimidin-4-yl]oxybenzamide;2-[5-bromo-2-(3,4,5-trimethoxyanilino)pyrimidin-4-yl]oxy-6-hydroxy-N-methylbenzamide;2-[2-[5-bromo-2-(3,4,5-trimethoxyanilino)pyrimidin-4-yl]oxyphenyl]-1-cyclopropylethanone;1-[2-[5-bromo-2-(3,4,5-trimethoxyanilino)pyrimidin-4-yl]oxyphenyl]propan-1-one;6-[[4-(cyclopropylamino)-5-(trifluoromethyl)pyrimidin-2-yl]amino]-3,4-dihydro-1H-quinolin-2-one;4-N-cyclopropyl-2-N-(1H-indol-5-yl)-5-(trifluoromethyl)pyrimidine-2,4-diamine;methyl 2-[2-[5-bromo-2-(3,4,5-trimethoxyanilino)pyrimidin-4-yl]oxyphenyl]acetate has a molecular weight of 5413.01 g/mol, XLogP of 54.18, 84 rotatable bonds, 25 hydrogen bond donors, and 88 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[4-(1,3-benzodioxol-5-ylamino)-5-(trifluoromethyl)pyrimidin-2-yl]amino]-3,4-dihydro-1H-quinolin-2-one;4-N-(1,3-benzodioxol-5-yl)-2-N-(2,3-dihydro-1-benzofuran-5-yl)-5-(trifluoromethyl)pyrimidine-2,4-diamine;5-bromo-4-[2-(methoxymethyl)phenoxy]-N-(3,4,5-trimethoxyphenyl)pyrimidin-2-amine;5-bromo-4-N-phenyl-2-N-(3,4,5-trimethoxyphenyl)pyrimidine-2,4-diamine;[2-[[5-bromo-2-(3,4,5-trimethoxyanilino)pyrimidin-4-yl]amino]phenyl]methanol;2-[5-bromo-2-(3,4,5-trimethoxyanilino)pyrimidin-4-yl]oxybenzamide;2-[5-bromo-2-(3,4,5-trimethoxyanilino)pyrimidin-4-yl]oxy-6-hydroxy-N-methylbenzamide;2-[2-[5-bromo-2-(3,4,5-trimethoxyanilino)pyrimidin-4-yl]oxyphenyl]-1-cyclopropylethanone;1-[2-[5-bromo-2-(3,4,5-trimethoxyanilino)pyrimidin-4-yl]oxyphenyl]propan-1-one;6-[[4-(cyclopropylamino)-5-(trifluoromethyl)pyrimidin-2-yl]amino]-3,4-dihydro-1H-quinolin-2-one;4-N-cyclopropyl-2-N-(1H-indol-5-yl)-5-(trifluoromethyl)pyrimidine-2,4-diamine;methyl 2-[2-[5-bromo-2-(3,4,5-trimethoxyanilino)pyrimidin-4-yl]oxyphenyl]acetate is sourced from PubChem (CID 157402174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).