2-N-[3-(2-aminoethoxy)phenyl]-4-N-(2-methyl-1H-inden-5-yl)pyrimidine-2,4-diamine;N,N-dimethyl-3-[3-[[4-[(2-methyl-1H-inden-5-yl)amino]pyrimidin-2-yl]amino]phenyl]propanamide;4-hydroxy-1-[3-[[4-[(2-methyl-1H-inden-5-yl)amino]pyrimidin-2-yl]amino]phenyl]butan-1-one;1-[3-[[4-[(2-methyl-1H-inden-5-yl)amino]pyrimidin-2-yl]amino]phenyl]pentan-3-one;(E)-1-[3-[[4-[(2-methyl-1H-inden-5-yl)amino]pyrimidin-2-yl]amino]phenyl]pent-1-en-3-one;4-N-(2-methyl-1H-inden-5-yl)-2-N-[3-(2-methylsulfonylethyl)phenyl]pyrimidine-2,4-diamine;4-N-(2-methyl-1H-inden-5-yl)-2-N-[3-(methylsulfonylmethyl)phenyl]pyrimidine-2,4-diamine;4-N-(2-methyl-1H-inden-5-yl)-2-N-[3-(2-morpholin-4-ylethylsulfonyl)phenyl]pyrimidine-2,4-diamine;4-N-(2-methyl-1H-inden-5-yl)-2-N-[3-(oxan-4-yloxy)phenyl]pyrimidine-2,4-diamine;4-N-(2-methyl-1H-inden-5-yl)-2-N-[3-(2-pyrrolidin-1-ylethylsulfonyl)phenyl]pyrimidine-2,4-diamine;2-[4-[[3-[[4-[(2-methyl-1H-indol-5-yl)methyl]pyrimidin-2-yl]methyl]phenyl]methyl]piperazin-1-yl]ethanol;2-methyl-5-[[2-[[3-[(4-methylsulfonylpiperazin-1-yl)methyl]phenyl]methyl]pyrimidin-4-yl]methyl]-1H-indole

C298H318N54O20S5 — CID 159849997

IUPAC2-N-[3-(2-aminoethoxy)phenyl]-4-N-(2-methyl-1H-inden-5-yl)pyrimidine-2,4-diamine;N,N-dimethyl-3-[3-[[4-[(2-methyl-1H-inden-5-yl)amino]pyrimidin-2-yl]amino]phenyl]propanamide;4-hydroxy-1-[3-[[4-[(2-methyl-1H-inden-5-yl)amino]pyrimidin-2-yl]amino]phenyl]butan-1-one;1-[3-[[4-[(2-methyl-1H-inden-5-yl)amino]pyrimidin-2-yl]amino]phenyl]pentan-3-one;(E)-1-[3-[[4-[(2-methyl-1H-inden-5-yl)amino]pyrimidin-2-yl]amino]phenyl]pent-1-en-3-one;4-N-(2-methyl-1H-inden-5-yl)-2-N-[3-(2-methylsulfonylethyl)phenyl]pyrimidine-2,4-diamine;4-N-(2-methyl-1H-inden-5-yl)-2-N-[3-(methylsulfonylmethyl)phenyl]pyrimidine-2,4-diamine;4-N-(2-methyl-1H-inden-5-yl)-2-N-[3-(2-morpholin-4-ylethylsulfonyl)phenyl]pyrimidine-2,4-diamine;4-N-(2-methyl-1H-inden-5-yl)-2-N-[3-(oxan-4-yloxy)phenyl]pyrimidine-2,4-diamine;4-N-(2-methyl-1H-inden-5-yl)-2-N-[3-(2-pyrrolidin-1-ylethylsulfonyl)phenyl]pyrimidine-2,4-diamine;2-[4-[[3-[[4-[(2-methyl-1H-indol-5-yl)methyl]pyrimidin-2-yl]methyl]phenyl]methyl]piperazin-1-yl]ethanol;2-methyl-5-[[2-[[3-[(4-methylsulfonylpiperazin-1-yl)methyl]phenyl]methyl]pyrimidin-4-yl]methyl]-1H-indole
SMILESCC1=Cc2cc(Nc3ccnc(Nc4cccc(C(=O)CCCO)c4)n3)ccc2C1.CC1=Cc2cc(Nc3ccnc(Nc4cccc(CCC(=O)N(C)C)c4)n3)ccc2C1.CC1=Cc2cc(Nc3ccnc(Nc4cccc(CCS(C)(=O)=O)c4)n3)ccc2C1.CC1=Cc2cc(Nc3ccnc(Nc4cccc(CS(C)(=O)=O)c4)n3)ccc2C1.CC1=Cc2cc(Nc3ccnc(Nc4cccc(OC5CCOCC5)c4)n3)ccc2C1.CC1=Cc2cc(Nc3ccnc(Nc4cccc(OCCN)c4)n3)ccc2C1.CC1=Cc2cc(Nc3ccnc(Nc4cccc(S(=O)(=O)CCN5CCCC5)c4)n3)ccc2C1.CC1=Cc2cc(Nc3ccnc(Nc4cccc(S(=O)(=O)CCN5CCOCC5)c4)n3)ccc2C1.CCC(=O)/C=C/c1cccc(Nc2nccc(Nc3ccc4c(c3)C=C(C)C4)n2)c1.CCC(=O)CCc1cccc(Nc2nccc(Nc3ccc4c(c3)C=C(C)C4)n2)c1.Cc1cc2cc(Cc3ccnc(Cc4cccc(CN5CCN(CCO)CC5)c4)n3)ccc2[nH]1.Cc1cc2cc(Cc3ccnc(Cc4cccc(CN5CCN(S(C)(=O)=O)CC5)c4)n3)ccc2[nH]1
InChIInChI=1S/C28H33N5O.C27H31N5O2S.C26H29N5O3S.C26H29N5O2S.C25H27N5O.C25H26N4O2.C25H26N4O.C25H24N4O.C24H24N4O2.C23H24N4O2S.C22H23N5O.C22H22N4O2S/c1-21-15-25-17-23(5-6-27(25)30-21)18-26-7-8-29-28(31-26)19-22-3-2-4-24(16-22)20-33-11-9-32(10-12-33)13-14-34;1-20-14-24-16-22(6-7-26(24)29-20)17-25-8-9-28-27(30-25)18-21-4-3-5-23(15-21)19-31-10-12-32(13-11-31)35(2,33)34;1-19-15-20-5-6-23(17-21(20)16-19)28-25-7-8-27-26(30-25)29-22-3-2-4-24(18-22)35(32,33)14-11-31-9-12-34-13-10-31;1-19-15-20-7-8-23(17-21(20)16-19)28-25-9-10-27-26(30-25)29-22-5-4-6-24(18-22)34(32,33)14-13-31-11-2-3-12-31;1-17-13-19-8-9-22(16-20(19)14-17)27-23-11-12-26-25(29-23)28-21-6-4-5-18(15-21)7-10-24(31)30(2)3;1-17-13-18-5-6-21(15-19(18)14-17)27-24-7-10-26-25(29-24)28-20-3-2-4-23(16-20)31-22-8-11-30-12-9-22;2*1-3-23(30)10-7-18-5-4-6-21(15-18)28-25-26-12-11-24(29-25)27-22-9-8-19-13-17(2)14-20(19)16-22;1-16-12-17-7-8-21(15-19(17)13-16)26-23-9-10-25-24(28-23)27-20-5-2-4-18(14-20)22(30)6-3-11-29;1-16-12-18-6-7-21(15-19(18)13-16)25-22-8-10-24-23(27-22)26-20-5-3-4-17(14-20)9-11-30(2,28)29;1-15-11-16-5-6-19(13-17(16)12-15)25-21-7-9-24-22(27-21)26-18-3-2-4-20(14-18)28-10-8-23;1-15-10-17-6-7-20(13-18(17)11-15)24-21-8-9-23-22(26-21)25-19-5-3-4-16(12-19)14-29(2,27)28/h2-8,15-17,30,34H,9-14,18-20H2,1H3;3-9,14-16,29H,10-13,17-19H2,1-2H3;2-8,16-18H,9-15H2,1H3,(H2,27,28,29,30);4-10,16-18H,2-3,11-15H2,1H3,(H2,27,28,29,30);4-6,8-9,11-12,14-16H,7,10,13H2,1-3H3,(H2,26,27,28,29);2-7,10,14-16,22H,8-9,11-13H2,1H3,(H2,26,27,28,29);4-6,8-9,11-12,14-16H,3,7,10,13H2,1-2H3,(H2,26,27,28,29);4-12,14-16H,3,13H2,1-2H3,(H2,26,27,28,29);2,4-5,7-10,13-15,29H,3,6,11-12H2,1H3,(H2,25,26,27,28);3-8,10,13-15H,9,11-12H2,1-2H3,(H2,24,25,26,27);2-7,9,12-14H,8,10-11,23H2,1H3,(H2,24,25,26,27);3-9,11-13H,10,14H2,1-2H3,(H2,23,24,25,26)/b;;;;;;;10-7+;;;;
InChIKeyNPUPZQVFRLVVKK-RBOXSICGSA-N
MW5136.52 g/mol
LogP56.20
Rot. Bonds87

About 2-N-[3-(2-aminoethoxy)phenyl]-4-N-(2-methyl-1H-inden-5-yl)pyrimidine-2,4-diamine;N,N-dimethyl-3-[3-[[4-[(2-methyl-1H-inden-5-yl)amino]pyrimidin-2-yl]amino]phenyl]propanamide;4-hydroxy-1-[3-[[4-[(2-methyl-1H-inden-5-yl)amino]pyrimidin-2-yl]amino]phenyl]butan-1-one;1-[3-[[4-[(2-methyl-1H-inden-5-yl)amino]pyrimidin-2-yl]amino]phenyl]pentan-3-one;(E)-1-[3-[[4-[(2-methyl-1H-inden-5-yl)amino]pyrimidin-2-yl]amino]phenyl]pent-1-en-3-one;4-N-(2-methyl-1H-inden-5-yl)-2-N-[3-(2-methylsulfonylethyl)phenyl]pyrimidine-2,4-diamine;4-N-(2-methyl-1H-inden-5-yl)-2-N-[3-(methylsulfonylmethyl)phenyl]pyrimidine-2,4-diamine;4-N-(2-methyl-1H-inden-5-yl)-2-N-[3-(2-morpholin-4-ylethylsulfonyl)phenyl]pyrimidine-2,4-diamine;4-N-(2-methyl-1H-inden-5-yl)-2-N-[3-(oxan-4-yloxy)phenyl]pyrimidine-2,4-diamine;4-N-(2-methyl-1H-inden-5-yl)-2-N-[3-(2-pyrrolidin-1-ylethylsulfonyl)phenyl]pyrimidine-2,4-diamine;2-[4-[[3-[[4-[(2-methyl-1H-indol-5-yl)methyl]pyrimidin-2-yl]methyl]phenyl]methyl]piperazin-1-yl]ethanol;2-methyl-5-[[2-[[3-[(4-methylsulfonylpiperazin-1-yl)methyl]phenyl]methyl]pyrimidin-4-yl]methyl]-1H-indole

2-N-[3-(2-aminoethoxy)phenyl]-4-N-(2-methyl-1H-inden-5-yl)pyrimidine-2,4-diamine;N,N-dimethyl-3-[3-[[4-[(2-methyl-1H-inden-5-yl)amino]pyrimidin-2-yl]amino]phenyl]propanamide;4-hydroxy-1-[3-[[4-[(2-methyl-1H-inden-5-yl)amino]pyrimidin-2-yl]amino]phenyl]butan-1-one;1-[3-[[4-[(2-methyl-1H-inden-5-yl)amino]pyrimidin-2-yl]amino]phenyl]pentan-3-one;(E)-1-[3-[[4-[(2-methyl-1H-inden-5-yl)amino]pyrimidin-2-yl]amino]phenyl]pent-1-en-3-one;4-N-(2-methyl-1H-inden-5-yl)-2-N-[3-(2-methylsulfonylethyl)phenyl]pyrimidine-2,4-diamine;4-N-(2-methyl-1H-inden-5-yl)-2-N-[3-(methylsulfonylmethyl)phenyl]pyrimidine-2,4-diamine;4-N-(2-methyl-1H-inden-5-yl)-2-N-[3-(2-morpholin-4-ylethylsulfonyl)phenyl]pyrimidine-2,4-diamine;4-N-(2-methyl-1H-inden-5-yl)-2-N-[3-(oxan-4-yloxy)phenyl]pyrimidine-2,4-diamine;4-N-(2-methyl-1H-inden-5-yl)-2-N-[3-(2-pyrrolidin-1-ylethylsulfonyl)phenyl]pyrimidine-2,4-diamine;2-[4-[[3-[[4-[(2-methyl-1H-indol-5-yl)methyl]pyrimidin-2-yl]methyl]phenyl]methyl]piperazin-1-yl]ethanol;2-methyl-5-[[2-[[3-[(4-methylsulfonylpiperazin-1-yl)methyl]phenyl]methyl]pyrimidin-4-yl]methyl]-1H-indole (PubChem CID 159849997) has the molecular formula C298H318N54O20S5 and a molecular weight of 5136.52 g/mol. Its IUPAC name is 2-N-[3-(2-aminoethoxy)phenyl]-4-N-(2-methyl-1H-inden-5-yl)pyrimidine-2,4-diamine;N,N-dimethyl-3-[3-[[4-[(2-methyl-1H-inden-5-yl)amino]pyrimidin-2-yl]amino]phenyl]propanamide;4-hydroxy-1-[3-[[4-[(2-methyl-1H-inden-5-yl)amino]pyrimidin-2-yl]amino]phenyl]butan-1-one;1-[3-[[4-[(2-methyl-1H-inden-5-yl)amino]pyrimidin-2-yl]amino]phenyl]pentan-3-one;(E)-1-[3-[[4-[(2-methyl-1H-inden-5-yl)amino]pyrimidin-2-yl]amino]phenyl]pent-1-en-3-one;4-N-(2-methyl-1H-inden-5-yl)-2-N-[3-(2-methylsulfonylethyl)phenyl]pyrimidine-2,4-diamine;4-N-(2-methyl-1H-inden-5-yl)-2-N-[3-(methylsulfonylmethyl)phenyl]pyrimidine-2,4-diamine;4-N-(2-methyl-1H-inden-5-yl)-2-N-[3-(2-morpholin-4-ylethylsulfonyl)phenyl]pyrimidine-2,4-diamine;4-N-(2-methyl-1H-inden-5-yl)-2-N-[3-(oxan-4-yloxy)phenyl]pyrimidine-2,4-diamine;4-N-(2-methyl-1H-inden-5-yl)-2-N-[3-(2-pyrrolidin-1-ylethylsulfonyl)phenyl]pyrimidine-2,4-diamine;2-[4-[[3-[[4-[(2-methyl-1H-indol-5-yl)methyl]pyrimidin-2-yl]methyl]phenyl]methyl]piperazin-1-yl]ethanol;2-methyl-5-[[2-[[3-[(4-methylsulfonylpiperazin-1-yl)methyl]phenyl]methyl]pyrimidin-4-yl]methyl]-1H-indole.

Molecular Properties

Compound Name2-N-[3-(2-aminoethoxy)phenyl]-4-N-(2-methyl-1H-inden-5-yl)pyrimidine-2,4-diamine;N,N-dimethyl-3-[3-[[4-[(2-methyl-1H-inden-5-yl)amino]pyrimidin-2-yl]amino]phenyl]propanamide;4-hydroxy-1-[3-[[4-[(2-methyl-1H-inden-5-yl)amino]pyrimidin-2-yl]amino]phenyl]butan-1-one;1-[3-[[4-[(2-methyl-1H-inden-5-yl)amino]pyrimidin-2-yl]amino]phenyl]pentan-3-one;(E)-1-[3-[[4-[(2-methyl-1H-inden-5-yl)amino]pyrimidin-2-yl]amino]phenyl]pent-1-en-3-one;4-N-(2-methyl-1H-inden-5-yl)-2-N-[3-(2-methylsulfonylethyl)phenyl]pyrimidine-2,4-diamine;4-N-(2-methyl-1H-inden-5-yl)-2-N-[3-(methylsulfonylmethyl)phenyl]pyrimidine-2,4-diamine;4-N-(2-methyl-1H-inden-5-yl)-2-N-[3-(2-morpholin-4-ylethylsulfonyl)phenyl]pyrimidine-2,4-diamine;4-N-(2-methyl-1H-inden-5-yl)-2-N-[3-(oxan-4-yloxy)phenyl]pyrimidine-2,4-diamine;4-N-(2-methyl-1H-inden-5-yl)-2-N-[3-(2-pyrrolidin-1-ylethylsulfonyl)phenyl]pyrimidine-2,4-diamine;2-[4-[[3-[[4-[(2-methyl-1H-indol-5-yl)methyl]pyrimidin-2-yl]methyl]phenyl]methyl]piperazin-1-yl]ethanol;2-methyl-5-[[2-[[3-[(4-methylsulfonylpiperazin-1-yl)methyl]phenyl]methyl]pyrimidin-4-yl]methyl]-1H-indole
PubChem CID159849997
Molecular FormulaC298H318N54O20S5
Molecular Weight5136.52 g/mol
Exact Mass5132.41
IUPAC Name2-N-[3-(2-aminoethoxy)phenyl]-4-N-(2-methyl-1H-inden-5-yl)pyrimidine-2,4-diamine;N,N-dimethyl-3-[3-[[4-[(2-methyl-1H-inden-5-yl)amino]pyrimidin-2-yl]amino]phenyl]propanamide;4-hydroxy-1-[3-[[4-[(2-methyl-1H-inden-5-yl)amino]pyrimidin-2-yl]amino]phenyl]butan-1-one;1-[3-[[4-[(2-methyl-1H-inden-5-yl)amino]pyrimidin-2-yl]amino]phenyl]pentan-3-one;(E)-1-[3-[[4-[(2-methyl-1H-inden-5-yl)amino]pyrimidin-2-yl]amino]phenyl]pent-1-en-3-one;4-N-(2-methyl-1H-inden-5-yl)-2-N-[3-(2-methylsulfonylethyl)phenyl]pyrimidine-2,4-diamine;4-N-(2-methyl-1H-inden-5-yl)-2-N-[3-(methylsulfonylmethyl)phenyl]pyrimidine-2,4-diamine;4-N-(2-methyl-1H-inden-5-yl)-2-N-[3-(2-morpholin-4-ylethylsulfonyl)phenyl]pyrimidine-2,4-diamine;4-N-(2-methyl-1H-inden-5-yl)-2-N-[3-(oxan-4-yloxy)phenyl]pyrimidine-2,4-diamine;4-N-(2-methyl-1H-inden-5-yl)-2-N-[3-(2-pyrrolidin-1-ylethylsulfonyl)phenyl]pyrimidine-2,4-diamine;2-[4-[[3-[[4-[(2-methyl-1H-indol-5-yl)methyl]pyrimidin-2-yl]methyl]phenyl]methyl]piperazin-1-yl]ethanol;2-methyl-5-[[2-[[3-[(4-methylsulfonylpiperazin-1-yl)methyl]phenyl]methyl]pyrimidin-4-yl]methyl]-1H-indole
SMILESCC1=Cc2cc(Nc3ccnc(Nc4cccc(C(=O)CCCO)c4)n3)ccc2C1.CC1=Cc2cc(Nc3ccnc(Nc4cccc(CCC(=O)N(C)C)c4)n3)ccc2C1.CC1=Cc2cc(Nc3ccnc(Nc4cccc(CCS(C)(=O)=O)c4)n3)ccc2C1.CC1=Cc2cc(Nc3ccnc(Nc4cccc(CS(C)(=O)=O)c4)n3)ccc2C1.CC1=Cc2cc(Nc3ccnc(Nc4cccc(OC5CCOCC5)c4)n3)ccc2C1.CC1=Cc2cc(Nc3ccnc(Nc4cccc(OCCN)c4)n3)ccc2C1.CC1=Cc2cc(Nc3ccnc(Nc4cccc(S(=O)(=O)CCN5CCCC5)c4)n3)ccc2C1.CC1=Cc2cc(Nc3ccnc(Nc4cccc(S(=O)(=O)CCN5CCOCC5)c4)n3)ccc2C1.CCC(=O)/C=C/c1cccc(Nc2nccc(Nc3ccc4c(c3)C=C(C)C4)n2)c1.CCC(=O)CCc1cccc(Nc2nccc(Nc3ccc4c(c3)C=C(C)C4)n2)c1.Cc1cc2cc(Cc3ccnc(Cc4cccc(CN5CCN(CCO)CC5)c4)n3)ccc2[nH]1.Cc1cc2cc(Cc3ccnc(Cc4cccc(CN5CCN(S(C)(=O)=O)CC5)c4)n3)ccc2[nH]1
InChIInChI=1S/C28H33N5O.C27H31N5O2S.C26H29N5O3S.C26H29N5O2S.C25H27N5O.C25H26N4O2.C25H26N4O.C25H24N4O.C24H24N4O2.C23H24N4O2S.C22H23N5O.C22H22N4O2S/c1-21-15-25-17-23(5-6-27(25)30-21)18-26-7-8-29-28(31-26)19-22-3-2-4-24(16-22)20-33-11-9-32(10-12-33)13-14-34;1-20-14-24-16-22(6-7-26(24)29-20)17-25-8-9-28-27(30-25)18-21-4-3-5-23(15-21)19-31-10-12-32(13-11-31)35(2,33)34;1-19-15-20-5-6-23(17-21(20)16-19)28-25-7-8-27-26(30-25)29-22-3-2-4-24(18-22)35(32,33)14-11-31-9-12-34-13-10-31;1-19-15-20-7-8-23(17-21(20)16-19)28-25-9-10-27-26(30-25)29-22-5-4-6-24(18-22)34(32,33)14-13-31-11-2-3-12-31;1-17-13-19-8-9-22(16-20(19)14-17)27-23-11-12-26-25(29-23)28-21-6-4-5-18(15-21)7-10-24(31)30(2)3;1-17-13-18-5-6-21(15-19(18)14-17)27-24-7-10-26-25(29-24)28-20-3-2-4-23(16-20)31-22-8-11-30-12-9-22;2*1-3-23(30)10-7-18-5-4-6-21(15-18)28-25-26-12-11-24(29-25)27-22-9-8-19-13-17(2)14-20(19)16-22;1-16-12-17-7-8-21(15-19(17)13-16)26-23-9-10-25-24(28-23)27-20-5-2-4-18(14-20)22(30)6-3-11-29;1-16-12-18-6-7-21(15-19(18)13-16)25-22-8-10-24-23(27-22)26-20-5-3-4-17(14-20)9-11-30(2,28)29;1-15-11-16-5-6-19(13-17(16)12-15)25-21-7-9-24-22(27-21)26-18-3-2-4-20(14-18)28-10-8-23;1-15-10-17-6-7-20(13-18(17)11-15)24-21-8-9-23-22(26-21)25-19-5-3-4-16(12-19)14-29(2,27)28/h2-8,15-17,30,34H,9-14,18-20H2,1H3;3-9,14-16,29H,10-13,17-19H2,1-2H3;2-8,16-18H,9-15H2,1H3,(H2,27,28,29,30);4-10,16-18H,2-3,11-15H2,1H3,(H2,27,28,29,30);4-6,8-9,11-12,14-16H,7,10,13H2,1-3H3,(H2,26,27,28,29);2-7,10,14-16,22H,8-9,11-13H2,1H3,(H2,26,27,28,29);4-6,8-9,11-12,14-16H,3,7,10,13H2,1-2H3,(H2,26,27,28,29);4-12,14-16H,3,13H2,1-2H3,(H2,26,27,28,29);2,4-5,7-10,13-15,29H,3,6,11-12H2,1H3,(H2,25,26,27,28);3-8,10,13-15H,9,11-12H2,1-2H3,(H2,24,25,26,27);2-7,9,12-14H,8,10-11,23H2,1H3,(H2,24,25,26,27);3-9,11-13H,10,14H2,1-2H3,(H2,23,24,25,26)/b;;;;;;;10-7+;;;;
InChIKeyNPUPZQVFRLVVKK-RBOXSICGSA-N
XLogP56.20
TPSA946.60 Ų
H-Bond Donors25
H-Bond Acceptors70
Rotatable Bonds87
Heavy Atoms377
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5005136.52
LogP ≤ 556.20
H-Bond Donors ≤ 525
H-Bond Acceptors ≤ 1070

Analyze 2-N-[3-(2-aminoethoxy)phenyl]-4-N-(2-methyl-1H-inden-5-yl)pyrimidine-2,4-diamine;N,N-dimethyl-3-[3-[[4-[(2-methyl-1H-inden-5-yl)amino]pyrimidin-2-yl]amino]phenyl]propanamide;4-hydroxy-1-[3-[[4-[(2-methyl-1H-inden-5-yl)amino]pyrimidin-2-yl]amino]phenyl]butan-1-one;1-[3-[[4-[(2-methyl-1H-inden-5-yl)amino]pyrimidin-2-yl]amino]phenyl]pentan-3-one;(E)-1-[3-[[4-[(2-methyl-1H-inden-5-yl)amino]pyrimidin-2-yl]amino]phenyl]pent-1-en-3-one;4-N-(2-methyl-1H-inden-5-yl)-2-N-[3-(2-methylsulfonylethyl)phenyl]pyrimidine-2,4-diamine;4-N-(2-methyl-1H-inden-5-yl)-2-N-[3-(methylsulfonylmethyl)phenyl]pyrimidine-2,4-diamine;4-N-(2-methyl-1H-inden-5-yl)-2-N-[3-(2-morpholin-4-ylethylsulfonyl)phenyl]pyrimidine-2,4-diamine;4-N-(2-methyl-1H-inden-5-yl)-2-N-[3-(oxan-4-yloxy)phenyl]pyrimidine-2,4-diamine;4-N-(2-methyl-1H-inden-5-yl)-2-N-[3-(2-pyrrolidin-1-ylethylsulfonyl)phenyl]pyrimidine-2,4-diamine;2-[4-[[3-[[4-[(2-methyl-1H-indol-5-yl)methyl]pyrimidin-2-yl]methyl]phenyl]methyl]piperazin-1-yl]ethanol;2-methyl-5-[[2-[[3-[(4-methylsulfonylpiperazin-1-yl)methyl]phenyl]methyl]pyrimidin-4-yl]methyl]-1H-indole with MolForge

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What is the IUPAC name of 2-N-[3-(2-aminoethoxy)phenyl]-4-N-(2-methyl-1H-inden-5-yl)pyrimidine-2,4-diamine;N,N-dimethyl-3-[3-[[4-[(2-methyl-1H-inden-5-yl)amino]pyrimidin-2-yl]amino]phenyl]propanamide;4-hydroxy-1-[3-[[4-[(2-methyl-1H-inden-5-yl)amino]pyrimidin-2-yl]amino]phenyl]butan-1-one;1-[3-[[4-[(2-methyl-1H-inden-5-yl)amino]pyrimidin-2-yl]amino]phenyl]pentan-3-one;(E)-1-[3-[[4-[(2-methyl-1H-inden-5-yl)amino]pyrimidin-2-yl]amino]phenyl]pent-1-en-3-one;4-N-(2-methyl-1H-inden-5-yl)-2-N-[3-(2-methylsulfonylethyl)phenyl]pyrimidine-2,4-diamine;4-N-(2-methyl-1H-inden-5-yl)-2-N-[3-(methylsulfonylmethyl)phenyl]pyrimidine-2,4-diamine;4-N-(2-methyl-1H-inden-5-yl)-2-N-[3-(2-morpholin-4-ylethylsulfonyl)phenyl]pyrimidine-2,4-diamine;4-N-(2-methyl-1H-inden-5-yl)-2-N-[3-(oxan-4-yloxy)phenyl]pyrimidine-2,4-diamine;4-N-(2-methyl-1H-inden-5-yl)-2-N-[3-(2-pyrrolidin-1-ylethylsulfonyl)phenyl]pyrimidine-2,4-diamine;2-[4-[[3-[[4-[(2-methyl-1H-indol-5-yl)methyl]pyrimidin-2-yl]methyl]phenyl]methyl]piperazin-1-yl]ethanol;2-methyl-5-[[2-[[3-[(4-methylsulfonylpiperazin-1-yl)methyl]phenyl]methyl]pyrimidin-4-yl]methyl]-1H-indole?
The IUPAC name of 2-N-[3-(2-aminoethoxy)phenyl]-4-N-(2-methyl-1H-inden-5-yl)pyrimidine-2,4-diamine;N,N-dimethyl-3-[3-[[4-[(2-methyl-1H-inden-5-yl)amino]pyrimidin-2-yl]amino]phenyl]propanamide;4-hydroxy-1-[3-[[4-[(2-methyl-1H-inden-5-yl)amino]pyrimidin-2-yl]amino]phenyl]butan-1-one;1-[3-[[4-[(2-methyl-1H-inden-5-yl)amino]pyrimidin-2-yl]amino]phenyl]pentan-3-one;(E)-1-[3-[[4-[(2-methyl-1H-inden-5-yl)amino]pyrimidin-2-yl]amino]phenyl]pent-1-en-3-one;4-N-(2-methyl-1H-inden-5-yl)-2-N-[3-(2-methylsulfonylethyl)phenyl]pyrimidine-2,4-diamine;4-N-(2-methyl-1H-inden-5-yl)-2-N-[3-(methylsulfonylmethyl)phenyl]pyrimidine-2,4-diamine;4-N-(2-methyl-1H-inden-5-yl)-2-N-[3-(2-morpholin-4-ylethylsulfonyl)phenyl]pyrimidine-2,4-diamine;4-N-(2-methyl-1H-inden-5-yl)-2-N-[3-(oxan-4-yloxy)phenyl]pyrimidine-2,4-diamine;4-N-(2-methyl-1H-inden-5-yl)-2-N-[3-(2-pyrrolidin-1-ylethylsulfonyl)phenyl]pyrimidine-2,4-diamine;2-[4-[[3-[[4-[(2-methyl-1H-indol-5-yl)methyl]pyrimidin-2-yl]methyl]phenyl]methyl]piperazin-1-yl]ethanol;2-methyl-5-[[2-[[3-[(4-methylsulfonylpiperazin-1-yl)methyl]phenyl]methyl]pyrimidin-4-yl]methyl]-1H-indole (CID 159849997) is 2-N-[3-(2-aminoethoxy)phenyl]-4-N-(2-methyl-1H-inden-5-yl)pyrimidine-2,4-diamine;N,N-dimethyl-3-[3-[[4-[(2-methyl-1H-inden-5-yl)amino]pyrimidin-2-yl]amino]phenyl]propanamide;4-hydroxy-1-[3-[[4-[(2-methyl-1H-inden-5-yl)amino]pyrimidin-2-yl]amino]phenyl]butan-1-one;1-[3-[[4-[(2-methyl-1H-inden-5-yl)amino]pyrimidin-2-yl]amino]phenyl]pentan-3-one;(E)-1-[3-[[4-[(2-methyl-1H-inden-5-yl)amino]pyrimidin-2-yl]amino]phenyl]pent-1-en-3-one;4-N-(2-methyl-1H-inden-5-yl)-2-N-[3-(2-methylsulfonylethyl)phenyl]pyrimidine-2,4-diamine;4-N-(2-methyl-1H-inden-5-yl)-2-N-[3-(methylsulfonylmethyl)phenyl]pyrimidine-2,4-diamine;4-N-(2-methyl-1H-inden-5-yl)-2-N-[3-(2-morpholin-4-ylethylsulfonyl)phenyl]pyrimidine-2,4-diamine;4-N-(2-methyl-1H-inden-5-yl)-2-N-[3-(oxan-4-yloxy)phenyl]pyrimidine-2,4-diamine;4-N-(2-methyl-1H-inden-5-yl)-2-N-[3-(2-pyrrolidin-1-ylethylsulfonyl)phenyl]pyrimidine-2,4-diamine;2-[4-[[3-[[4-[(2-methyl-1H-indol-5-yl)methyl]pyrimidin-2-yl]methyl]phenyl]methyl]piperazin-1-yl]ethanol;2-methyl-5-[[2-[[3-[(4-methylsulfonylpiperazin-1-yl)methyl]phenyl]methyl]pyrimidin-4-yl]methyl]-1H-indole.
What is the SMILES notation for 2-N-[3-(2-aminoethoxy)phenyl]-4-N-(2-methyl-1H-inden-5-yl)pyrimidine-2,4-diamine;N,N-dimethyl-3-[3-[[4-[(2-methyl-1H-inden-5-yl)amino]pyrimidin-2-yl]amino]phenyl]propanamide;4-hydroxy-1-[3-[[4-[(2-methyl-1H-inden-5-yl)amino]pyrimidin-2-yl]amino]phenyl]butan-1-one;1-[3-[[4-[(2-methyl-1H-inden-5-yl)amino]pyrimidin-2-yl]amino]phenyl]pentan-3-one;(E)-1-[3-[[4-[(2-methyl-1H-inden-5-yl)amino]pyrimidin-2-yl]amino]phenyl]pent-1-en-3-one;4-N-(2-methyl-1H-inden-5-yl)-2-N-[3-(2-methylsulfonylethyl)phenyl]pyrimidine-2,4-diamine;4-N-(2-methyl-1H-inden-5-yl)-2-N-[3-(methylsulfonylmethyl)phenyl]pyrimidine-2,4-diamine;4-N-(2-methyl-1H-inden-5-yl)-2-N-[3-(2-morpholin-4-ylethylsulfonyl)phenyl]pyrimidine-2,4-diamine;4-N-(2-methyl-1H-inden-5-yl)-2-N-[3-(oxan-4-yloxy)phenyl]pyrimidine-2,4-diamine;4-N-(2-methyl-1H-inden-5-yl)-2-N-[3-(2-pyrrolidin-1-ylethylsulfonyl)phenyl]pyrimidine-2,4-diamine;2-[4-[[3-[[4-[(2-methyl-1H-indol-5-yl)methyl]pyrimidin-2-yl]methyl]phenyl]methyl]piperazin-1-yl]ethanol;2-methyl-5-[[2-[[3-[(4-methylsulfonylpiperazin-1-yl)methyl]phenyl]methyl]pyrimidin-4-yl]methyl]-1H-indole?
The canonical SMILES for 2-N-[3-(2-aminoethoxy)phenyl]-4-N-(2-methyl-1H-inden-5-yl)pyrimidine-2,4-diamine;N,N-dimethyl-3-[3-[[4-[(2-methyl-1H-inden-5-yl)amino]pyrimidin-2-yl]amino]phenyl]propanamide;4-hydroxy-1-[3-[[4-[(2-methyl-1H-inden-5-yl)amino]pyrimidin-2-yl]amino]phenyl]butan-1-one;1-[3-[[4-[(2-methyl-1H-inden-5-yl)amino]pyrimidin-2-yl]amino]phenyl]pentan-3-one;(E)-1-[3-[[4-[(2-methyl-1H-inden-5-yl)amino]pyrimidin-2-yl]amino]phenyl]pent-1-en-3-one;4-N-(2-methyl-1H-inden-5-yl)-2-N-[3-(2-methylsulfonylethyl)phenyl]pyrimidine-2,4-diamine;4-N-(2-methyl-1H-inden-5-yl)-2-N-[3-(methylsulfonylmethyl)phenyl]pyrimidine-2,4-diamine;4-N-(2-methyl-1H-inden-5-yl)-2-N-[3-(2-morpholin-4-ylethylsulfonyl)phenyl]pyrimidine-2,4-diamine;4-N-(2-methyl-1H-inden-5-yl)-2-N-[3-(oxan-4-yloxy)phenyl]pyrimidine-2,4-diamine;4-N-(2-methyl-1H-inden-5-yl)-2-N-[3-(2-pyrrolidin-1-ylethylsulfonyl)phenyl]pyrimidine-2,4-diamine;2-[4-[[3-[[4-[(2-methyl-1H-indol-5-yl)methyl]pyrimidin-2-yl]methyl]phenyl]methyl]piperazin-1-yl]ethanol;2-methyl-5-[[2-[[3-[(4-methylsulfonylpiperazin-1-yl)methyl]phenyl]methyl]pyrimidin-4-yl]methyl]-1H-indole is CC1=Cc2cc(Nc3ccnc(Nc4cccc(C(=O)CCCO)c4)n3)ccc2C1.CC1=Cc2cc(Nc3ccnc(Nc4cccc(CCC(=O)N(C)C)c4)n3)ccc2C1.CC1=Cc2cc(Nc3ccnc(Nc4cccc(CCS(C)(=O)=O)c4)n3)ccc2C1.CC1=Cc2cc(Nc3ccnc(Nc4cccc(CS(C)(=O)=O)c4)n3)ccc2C1.CC1=Cc2cc(Nc3ccnc(Nc4cccc(OC5CCOCC5)c4)n3)ccc2C1.CC1=Cc2cc(Nc3ccnc(Nc4cccc(OCCN)c4)n3)ccc2C1.CC1=Cc2cc(Nc3ccnc(Nc4cccc(S(=O)(=O)CCN5CCCC5)c4)n3)ccc2C1.CC1=Cc2cc(Nc3ccnc(Nc4cccc(S(=O)(=O)CCN5CCOCC5)c4)n3)ccc2C1.CCC(=O)/C=C/c1cccc(Nc2nccc(Nc3ccc4c(c3)C=C(C)C4)n2)c1.CCC(=O)CCc1cccc(Nc2nccc(Nc3ccc4c(c3)C=C(C)C4)n2)c1.Cc1cc2cc(Cc3ccnc(Cc4cccc(CN5CCN(CCO)CC5)c4)n3)ccc2[nH]1.Cc1cc2cc(Cc3ccnc(Cc4cccc(CN5CCN(S(C)(=O)=O)CC5)c4)n3)ccc2[nH]1.
What is the InChIKey of 2-N-[3-(2-aminoethoxy)phenyl]-4-N-(2-methyl-1H-inden-5-yl)pyrimidine-2,4-diamine;N,N-dimethyl-3-[3-[[4-[(2-methyl-1H-inden-5-yl)amino]pyrimidin-2-yl]amino]phenyl]propanamide;4-hydroxy-1-[3-[[4-[(2-methyl-1H-inden-5-yl)amino]pyrimidin-2-yl]amino]phenyl]butan-1-one;1-[3-[[4-[(2-methyl-1H-inden-5-yl)amino]pyrimidin-2-yl]amino]phenyl]pentan-3-one;(E)-1-[3-[[4-[(2-methyl-1H-inden-5-yl)amino]pyrimidin-2-yl]amino]phenyl]pent-1-en-3-one;4-N-(2-methyl-1H-inden-5-yl)-2-N-[3-(2-methylsulfonylethyl)phenyl]pyrimidine-2,4-diamine;4-N-(2-methyl-1H-inden-5-yl)-2-N-[3-(methylsulfonylmethyl)phenyl]pyrimidine-2,4-diamine;4-N-(2-methyl-1H-inden-5-yl)-2-N-[3-(2-morpholin-4-ylethylsulfonyl)phenyl]pyrimidine-2,4-diamine;4-N-(2-methyl-1H-inden-5-yl)-2-N-[3-(oxan-4-yloxy)phenyl]pyrimidine-2,4-diamine;4-N-(2-methyl-1H-inden-5-yl)-2-N-[3-(2-pyrrolidin-1-ylethylsulfonyl)phenyl]pyrimidine-2,4-diamine;2-[4-[[3-[[4-[(2-methyl-1H-indol-5-yl)methyl]pyrimidin-2-yl]methyl]phenyl]methyl]piperazin-1-yl]ethanol;2-methyl-5-[[2-[[3-[(4-methylsulfonylpiperazin-1-yl)methyl]phenyl]methyl]pyrimidin-4-yl]methyl]-1H-indole?
The InChIKey is NPUPZQVFRLVVKK-RBOXSICGSA-N. The full InChI is InChI=1S/C28H33N5O.C27H31N5O2S.C26H29N5O3S.C26H29N5O2S.C25H27N5O.C25H26N4O2.C25H26N4O.C25H24N4O.C24H24N4O2.C23H24N4O2S.C22H23N5O.C22H22N4O2S/c1-21-15-25-17-23(5-6-27(25)30-21)18-26-7-8-29-28(31-26)19-22-3-2-4-24(16-22)20-33-11-9-32(10-12-33)13-14-34;1-20-14-24-16-22(6-7-26(24)29-20)17-25-8-9-28-27(30-25)18-21-4-3-5-23(15-21)19-31-10-12-32(13-11-31)35(2,33)34;1-19-15-20-5-6-23(17-21(20)16-19)28-25-7-8-27-26(30-25)29-22-3-2-4-24(18-22)35(32,33)14-11-31-9-12-34-13-10-31;1-19-15-20-7-8-23(17-21(20)16-19)28-25-9-10-27-26(30-25)29-22-5-4-6-24(18-22)34(32,33)14-13-31-11-2-3-12-31;1-17-13-19-8-9-22(16-20(19)14-17)27-23-11-12-26-25(29-23)28-21-6-4-5-18(15-21)7-10-24(31)30(2)3;1-17-13-18-5-6-21(15-19(18)14-17)27-24-7-10-26-25(29-24)28-20-3-2-4-23(16-20)31-22-8-11-30-12-9-22;2*1-3-23(30)10-7-18-5-4-6-21(15-18)28-25-26-12-11-24(29-25)27-22-9-8-19-13-17(2)14-20(19)16-22;1-16-12-17-7-8-21(15-19(17)13-16)26-23-9-10-25-24(28-23)27-20-5-2-4-18(14-20)22(30)6-3-11-29;1-16-12-18-6-7-21(15-19(18)13-16)25-22-8-10-24-23(27-22)26-20-5-3-4-17(14-20)9-11-30(2,28)29;1-15-11-16-5-6-19(13-17(16)12-15)25-21-7-9-24-22(27-21)26-18-3-2-4-20(14-18)28-10-8-23;1-15-10-17-6-7-20(13-18(17)11-15)24-21-8-9-23-22(26-21)25-19-5-3-4-16(12-19)14-29(2,27)28/h2-8,15-17,30,34H,9-14,18-20H2,1H3;3-9,14-16,29H,10-13,17-19H2,1-2H3;2-8,16-18H,9-15H2,1H3,(H2,27,28,29,30);4-10,16-18H,2-3,11-15H2,1H3,(H2,27,28,29,30);4-6,8-9,11-12,14-16H,7,10,13H2,1-3H3,(H2,26,27,28,29);2-7,10,14-16,22H,8-9,11-13H2,1H3,(H2,26,27,28,29);4-6,8-9,11-12,14-16H,3,7,10,13H2,1-2H3,(H2,26,27,28,29);4-12,14-16H,3,13H2,1-2H3,(H2,26,27,28,29);2,4-5,7-10,13-15,29H,3,6,11-12H2,1H3,(H2,25,26,27,28);3-8,10,13-15H,9,11-12H2,1-2H3,(H2,24,25,26,27);2-7,9,12-14H,8,10-11,23H2,1H3,(H2,24,25,26,27);3-9,11-13H,10,14H2,1-2H3,(H2,23,24,25,26)/b;;;;;;;10-7+;;;;.
What are the key properties of 2-N-[3-(2-aminoethoxy)phenyl]-4-N-(2-methyl-1H-inden-5-yl)pyrimidine-2,4-diamine;N,N-dimethyl-3-[3-[[4-[(2-methyl-1H-inden-5-yl)amino]pyrimidin-2-yl]amino]phenyl]propanamide;4-hydroxy-1-[3-[[4-[(2-methyl-1H-inden-5-yl)amino]pyrimidin-2-yl]amino]phenyl]butan-1-one;1-[3-[[4-[(2-methyl-1H-inden-5-yl)amino]pyrimidin-2-yl]amino]phenyl]pentan-3-one;(E)-1-[3-[[4-[(2-methyl-1H-inden-5-yl)amino]pyrimidin-2-yl]amino]phenyl]pent-1-en-3-one;4-N-(2-methyl-1H-inden-5-yl)-2-N-[3-(2-methylsulfonylethyl)phenyl]pyrimidine-2,4-diamine;4-N-(2-methyl-1H-inden-5-yl)-2-N-[3-(methylsulfonylmethyl)phenyl]pyrimidine-2,4-diamine;4-N-(2-methyl-1H-inden-5-yl)-2-N-[3-(2-morpholin-4-ylethylsulfonyl)phenyl]pyrimidine-2,4-diamine;4-N-(2-methyl-1H-inden-5-yl)-2-N-[3-(oxan-4-yloxy)phenyl]pyrimidine-2,4-diamine;4-N-(2-methyl-1H-inden-5-yl)-2-N-[3-(2-pyrrolidin-1-ylethylsulfonyl)phenyl]pyrimidine-2,4-diamine;2-[4-[[3-[[4-[(2-methyl-1H-indol-5-yl)methyl]pyrimidin-2-yl]methyl]phenyl]methyl]piperazin-1-yl]ethanol;2-methyl-5-[[2-[[3-[(4-methylsulfonylpiperazin-1-yl)methyl]phenyl]methyl]pyrimidin-4-yl]methyl]-1H-indole?
2-N-[3-(2-aminoethoxy)phenyl]-4-N-(2-methyl-1H-inden-5-yl)pyrimidine-2,4-diamine;N,N-dimethyl-3-[3-[[4-[(2-methyl-1H-inden-5-yl)amino]pyrimidin-2-yl]amino]phenyl]propanamide;4-hydroxy-1-[3-[[4-[(2-methyl-1H-inden-5-yl)amino]pyrimidin-2-yl]amino]phenyl]butan-1-one;1-[3-[[4-[(2-methyl-1H-inden-5-yl)amino]pyrimidin-2-yl]amino]phenyl]pentan-3-one;(E)-1-[3-[[4-[(2-methyl-1H-inden-5-yl)amino]pyrimidin-2-yl]amino]phenyl]pent-1-en-3-one;4-N-(2-methyl-1H-inden-5-yl)-2-N-[3-(2-methylsulfonylethyl)phenyl]pyrimidine-2,4-diamine;4-N-(2-methyl-1H-inden-5-yl)-2-N-[3-(methylsulfonylmethyl)phenyl]pyrimidine-2,4-diamine;4-N-(2-methyl-1H-inden-5-yl)-2-N-[3-(2-morpholin-4-ylethylsulfonyl)phenyl]pyrimidine-2,4-diamine;4-N-(2-methyl-1H-inden-5-yl)-2-N-[3-(oxan-4-yloxy)phenyl]pyrimidine-2,4-diamine;4-N-(2-methyl-1H-inden-5-yl)-2-N-[3-(2-pyrrolidin-1-ylethylsulfonyl)phenyl]pyrimidine-2,4-diamine;2-[4-[[3-[[4-[(2-methyl-1H-indol-5-yl)methyl]pyrimidin-2-yl]methyl]phenyl]methyl]piperazin-1-yl]ethanol;2-methyl-5-[[2-[[3-[(4-methylsulfonylpiperazin-1-yl)methyl]phenyl]methyl]pyrimidin-4-yl]methyl]-1H-indole has a molecular weight of 5136.52 g/mol, XLogP of 56.20, 87 rotatable bonds, 25 hydrogen bond donors, and 70 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[3-(2-aminoethoxy)phenyl]-4-N-(2-methyl-1H-inden-5-yl)pyrimidine-2,4-diamine;N,N-dimethyl-3-[3-[[4-[(2-methyl-1H-inden-5-yl)amino]pyrimidin-2-yl]amino]phenyl]propanamide;4-hydroxy-1-[3-[[4-[(2-methyl-1H-inden-5-yl)amino]pyrimidin-2-yl]amino]phenyl]butan-1-one;1-[3-[[4-[(2-methyl-1H-inden-5-yl)amino]pyrimidin-2-yl]amino]phenyl]pentan-3-one;(E)-1-[3-[[4-[(2-methyl-1H-inden-5-yl)amino]pyrimidin-2-yl]amino]phenyl]pent-1-en-3-one;4-N-(2-methyl-1H-inden-5-yl)-2-N-[3-(2-methylsulfonylethyl)phenyl]pyrimidine-2,4-diamine;4-N-(2-methyl-1H-inden-5-yl)-2-N-[3-(methylsulfonylmethyl)phenyl]pyrimidine-2,4-diamine;4-N-(2-methyl-1H-inden-5-yl)-2-N-[3-(2-morpholin-4-ylethylsulfonyl)phenyl]pyrimidine-2,4-diamine;4-N-(2-methyl-1H-inden-5-yl)-2-N-[3-(oxan-4-yloxy)phenyl]pyrimidine-2,4-diamine;4-N-(2-methyl-1H-inden-5-yl)-2-N-[3-(2-pyrrolidin-1-ylethylsulfonyl)phenyl]pyrimidine-2,4-diamine;2-[4-[[3-[[4-[(2-methyl-1H-indol-5-yl)methyl]pyrimidin-2-yl]methyl]phenyl]methyl]piperazin-1-yl]ethanol;2-methyl-5-[[2-[[3-[(4-methylsulfonylpiperazin-1-yl)methyl]phenyl]methyl]pyrimidin-4-yl]methyl]-1H-indole is sourced from PubChem (CID 159849997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).