2-N-[3-(ethylamino)phenyl]-4-N-(2-methyl-1H-inden-5-yl)pyrimidine-2,4-diamine;2-N-[3-[1-(2-methoxyethylamino)ethenyl]phenyl]-4-N-(2-methyl-1H-inden-5-yl)pyrimidine-2,4-diamine;6-methoxy-N-[4-[(2-methyl-1H-indol-5-yl)methyl]-2-pyridinyl]pyridin-3-amine;2-[3-[[4-[(2-methyl-1H-inden-5-yl)amino]pyrimidin-2-yl]amino]phenyl]-N-(2-morpholin-4-ylethyl)acetamide;1-[3-[[4-[(2-methyl-1H-inden-5-yl)amino]pyrimidin-2-yl]amino]phenyl]-4-piperidin-1-ylbutan-1-one;4-N-(2-methyl-1H-inden-5-yl)-2-N-(4-propylphenyl)pyrimidine-2,4-diamine;2-methyl-N-[4-[(2-methyl-1H-indol-5-yl)oxy]pyrimidin-2-yl]-1H-indol-5-amine

C170H178N34O6 — CID 158190092

IUPAC2-N-[3-(ethylamino)phenyl]-4-N-(2-methyl-1H-inden-5-yl)pyrimidine-2,4-diamine;2-N-[3-[1-(2-methoxyethylamino)ethenyl]phenyl]-4-N-(2-methyl-1H-inden-5-yl)pyrimidine-2,4-diamine;6-methoxy-N-[4-[(2-methyl-1H-indol-5-yl)methyl]-2-pyridinyl]pyridin-3-amine;2-[3-[[4-[(2-methyl-1H-inden-5-yl)amino]pyrimidin-2-yl]amino]phenyl]-N-(2-morpholin-4-ylethyl)acetamide;1-[3-[[4-[(2-methyl-1H-inden-5-yl)amino]pyrimidin-2-yl]amino]phenyl]-4-piperidin-1-ylbutan-1-one;4-N-(2-methyl-1H-inden-5-yl)-2-N-(4-propylphenyl)pyrimidine-2,4-diamine;2-methyl-N-[4-[(2-methyl-1H-indol-5-yl)oxy]pyrimidin-2-yl]-1H-indol-5-amine
SMILESC=C(NCCOC)c1cccc(Nc2nccc(Nc3ccc4c(c3)C=C(C)C4)n2)c1.CC1=Cc2cc(Nc3ccnc(Nc4cccc(C(=O)CCCN5CCCCC5)c4)n3)ccc2C1.CC1=Cc2cc(Nc3ccnc(Nc4cccc(CC(=O)NCCN5CCOCC5)c4)n3)ccc2C1.CCCc1ccc(Nc2nccc(Nc3ccc4c(c3)C=C(C)C4)n2)cc1.CCNc1cccc(Nc2nccc(Nc3ccc4c(c3)C=C(C)C4)n2)c1.COc1ccc(Nc2cc(Cc3ccc4[nH]c(C)cc4c3)ccn2)cn1.Cc1cc2cc(Nc3nccc(Oc4ccc5[nH]c(C)cc5c4)n3)ccc2[nH]1
InChIInChI=1S/C29H33N5O.C28H32N6O2.C25H27N5O.C23H24N4.C22H19N5O.C22H23N5.C21H20N4O/c1-21-17-22-10-11-26(20-24(22)18-21)31-28-12-13-30-29(33-28)32-25-8-5-7-23(19-25)27(35)9-6-16-34-14-3-2-4-15-34;1-20-15-22-5-6-25(19-23(22)16-20)31-26-7-8-30-28(33-26)32-24-4-2-3-21(17-24)18-27(35)29-9-10-34-11-13-36-14-12-34;1-17-13-20-7-8-23(16-21(20)14-17)28-24-9-10-27-25(30-24)29-22-6-4-5-19(15-22)18(2)26-11-12-31-3;1-3-4-17-5-8-20(9-6-17)26-23-24-12-11-22(27-23)25-21-10-7-18-13-16(2)14-19(18)15-21;1-13-9-15-11-17(3-5-19(15)24-13)26-22-23-8-7-21(27-22)28-18-4-6-20-16(12-18)10-14(2)25-20;1-3-23-18-5-4-6-19(14-18)26-22-24-10-9-21(27-22)25-20-8-7-16-11-15(2)12-17(16)13-20;1-14-9-17-11-15(3-5-19(17)24-14)10-16-7-8-22-20(12-16)25-18-4-6-21(26-2)23-13-18/h5,7-8,10-13,18-20H,2-4,6,9,14-17H2,1H3,(H2,30,31,32,33);2-8,16-17,19H,9-15,18H2,1H3,(H,29,35)(H2,30,31,32,33);4-10,14-16,26H,2,11-13H2,1,3H3,(H2,27,28,29,30);5-12,14-15H,3-4,13H2,1-2H3,(H2,24,25,26,27);3-12,24-25H,1-2H3,(H,23,26,27);4-10,12-14,23H,3,11H2,1-2H3,(H2,24,25,26,27);3-9,11-13,24H,10H2,1-2H3,(H,22,25)
InChIKeyFZQKIVCBKSCEDM-UHFFFAOYSA-N
MW2793.53 g/mol
LogP36.85
Rot. Bonds48

About 2-N-[3-(ethylamino)phenyl]-4-N-(2-methyl-1H-inden-5-yl)pyrimidine-2,4-diamine;2-N-[3-[1-(2-methoxyethylamino)ethenyl]phenyl]-4-N-(2-methyl-1H-inden-5-yl)pyrimidine-2,4-diamine;6-methoxy-N-[4-[(2-methyl-1H-indol-5-yl)methyl]-2-pyridinyl]pyridin-3-amine;2-[3-[[4-[(2-methyl-1H-inden-5-yl)amino]pyrimidin-2-yl]amino]phenyl]-N-(2-morpholin-4-ylethyl)acetamide;1-[3-[[4-[(2-methyl-1H-inden-5-yl)amino]pyrimidin-2-yl]amino]phenyl]-4-piperidin-1-ylbutan-1-one;4-N-(2-methyl-1H-inden-5-yl)-2-N-(4-propylphenyl)pyrimidine-2,4-diamine;2-methyl-N-[4-[(2-methyl-1H-indol-5-yl)oxy]pyrimidin-2-yl]-1H-indol-5-amine

2-N-[3-(ethylamino)phenyl]-4-N-(2-methyl-1H-inden-5-yl)pyrimidine-2,4-diamine;2-N-[3-[1-(2-methoxyethylamino)ethenyl]phenyl]-4-N-(2-methyl-1H-inden-5-yl)pyrimidine-2,4-diamine;6-methoxy-N-[4-[(2-methyl-1H-indol-5-yl)methyl]-2-pyridinyl]pyridin-3-amine;2-[3-[[4-[(2-methyl-1H-inden-5-yl)amino]pyrimidin-2-yl]amino]phenyl]-N-(2-morpholin-4-ylethyl)acetamide;1-[3-[[4-[(2-methyl-1H-inden-5-yl)amino]pyrimidin-2-yl]amino]phenyl]-4-piperidin-1-ylbutan-1-one;4-N-(2-methyl-1H-inden-5-yl)-2-N-(4-propylphenyl)pyrimidine-2,4-diamine;2-methyl-N-[4-[(2-methyl-1H-indol-5-yl)oxy]pyrimidin-2-yl]-1H-indol-5-amine (PubChem CID 158190092) has the molecular formula C170H178N34O6 and a molecular weight of 2793.53 g/mol. Its IUPAC name is 2-N-[3-(ethylamino)phenyl]-4-N-(2-methyl-1H-inden-5-yl)pyrimidine-2,4-diamine;2-N-[3-[1-(2-methoxyethylamino)ethenyl]phenyl]-4-N-(2-methyl-1H-inden-5-yl)pyrimidine-2,4-diamine;6-methoxy-N-[4-[(2-methyl-1H-indol-5-yl)methyl]-2-pyridinyl]pyridin-3-amine;2-[3-[[4-[(2-methyl-1H-inden-5-yl)amino]pyrimidin-2-yl]amino]phenyl]-N-(2-morpholin-4-ylethyl)acetamide;1-[3-[[4-[(2-methyl-1H-inden-5-yl)amino]pyrimidin-2-yl]amino]phenyl]-4-piperidin-1-ylbutan-1-one;4-N-(2-methyl-1H-inden-5-yl)-2-N-(4-propylphenyl)pyrimidine-2,4-diamine;2-methyl-N-[4-[(2-methyl-1H-indol-5-yl)oxy]pyrimidin-2-yl]-1H-indol-5-amine.

Molecular Properties

Compound Name2-N-[3-(ethylamino)phenyl]-4-N-(2-methyl-1H-inden-5-yl)pyrimidine-2,4-diamine;2-N-[3-[1-(2-methoxyethylamino)ethenyl]phenyl]-4-N-(2-methyl-1H-inden-5-yl)pyrimidine-2,4-diamine;6-methoxy-N-[4-[(2-methyl-1H-indol-5-yl)methyl]-2-pyridinyl]pyridin-3-amine;2-[3-[[4-[(2-methyl-1H-inden-5-yl)amino]pyrimidin-2-yl]amino]phenyl]-N-(2-morpholin-4-ylethyl)acetamide;1-[3-[[4-[(2-methyl-1H-inden-5-yl)amino]pyrimidin-2-yl]amino]phenyl]-4-piperidin-1-ylbutan-1-one;4-N-(2-methyl-1H-inden-5-yl)-2-N-(4-propylphenyl)pyrimidine-2,4-diamine;2-methyl-N-[4-[(2-methyl-1H-indol-5-yl)oxy]pyrimidin-2-yl]-1H-indol-5-amine
PubChem CID158190092
Molecular FormulaC170H178N34O6
Molecular Weight2793.53 g/mol
Exact Mass2791.47
IUPAC Name2-N-[3-(ethylamino)phenyl]-4-N-(2-methyl-1H-inden-5-yl)pyrimidine-2,4-diamine;2-N-[3-[1-(2-methoxyethylamino)ethenyl]phenyl]-4-N-(2-methyl-1H-inden-5-yl)pyrimidine-2,4-diamine;6-methoxy-N-[4-[(2-methyl-1H-indol-5-yl)methyl]-2-pyridinyl]pyridin-3-amine;2-[3-[[4-[(2-methyl-1H-inden-5-yl)amino]pyrimidin-2-yl]amino]phenyl]-N-(2-morpholin-4-ylethyl)acetamide;1-[3-[[4-[(2-methyl-1H-inden-5-yl)amino]pyrimidin-2-yl]amino]phenyl]-4-piperidin-1-ylbutan-1-one;4-N-(2-methyl-1H-inden-5-yl)-2-N-(4-propylphenyl)pyrimidine-2,4-diamine;2-methyl-N-[4-[(2-methyl-1H-indol-5-yl)oxy]pyrimidin-2-yl]-1H-indol-5-amine
SMILESC=C(NCCOC)c1cccc(Nc2nccc(Nc3ccc4c(c3)C=C(C)C4)n2)c1.CC1=Cc2cc(Nc3ccnc(Nc4cccc(C(=O)CCCN5CCCCC5)c4)n3)ccc2C1.CC1=Cc2cc(Nc3ccnc(Nc4cccc(CC(=O)NCCN5CCOCC5)c4)n3)ccc2C1.CCCc1ccc(Nc2nccc(Nc3ccc4c(c3)C=C(C)C4)n2)cc1.CCNc1cccc(Nc2nccc(Nc3ccc4c(c3)C=C(C)C4)n2)c1.COc1ccc(Nc2cc(Cc3ccc4[nH]c(C)cc4c3)ccn2)cn1.Cc1cc2cc(Nc3nccc(Oc4ccc5[nH]c(C)cc5c4)n3)ccc2[nH]1
InChIInChI=1S/C29H33N5O.C28H32N6O2.C25H27N5O.C23H24N4.C22H19N5O.C22H23N5.C21H20N4O/c1-21-17-22-10-11-26(20-24(22)18-21)31-28-12-13-30-29(33-28)32-25-8-5-7-23(19-25)27(35)9-6-16-34-14-3-2-4-15-34;1-20-15-22-5-6-25(19-23(22)16-20)31-26-7-8-30-28(33-26)32-24-4-2-3-21(17-24)18-27(35)29-9-10-34-11-13-36-14-12-34;1-17-13-20-7-8-23(16-21(20)14-17)28-24-9-10-27-25(30-24)29-22-6-4-5-19(15-22)18(2)26-11-12-31-3;1-3-4-17-5-8-20(9-6-17)26-23-24-12-11-22(27-23)25-21-10-7-18-13-16(2)14-19(18)15-21;1-13-9-15-11-17(3-5-19(15)24-13)26-22-23-8-7-21(27-22)28-18-4-6-20-16(12-18)10-14(2)25-20;1-3-23-18-5-4-6-19(14-18)26-22-24-10-9-21(27-22)25-20-8-7-16-11-15(2)12-17(16)13-20;1-14-9-17-11-15(3-5-19(17)24-14)10-16-7-8-22-20(12-16)25-18-4-6-21(26-2)23-13-18/h5,7-8,10-13,18-20H,2-4,6,9,14-17H2,1H3,(H2,30,31,32,33);2-8,16-17,19H,9-15,18H2,1H3,(H,29,35)(H2,30,31,32,33);4-10,14-16,26H,2,11-13H2,1,3H3,(H2,27,28,29,30);5-12,14-15H,3-4,13H2,1-2H3,(H2,24,25,26,27);3-12,24-25H,1-2H3,(H,23,26,27);4-10,12-14,23H,3,11H2,1-2H3,(H2,24,25,26,27);3-9,11-13,24H,10H2,1-2H3,(H,22,25)
InChIKeyFZQKIVCBKSCEDM-UHFFFAOYSA-N
XLogP36.85
TPSA485.82 Ų
H-Bond Donors18
H-Bond Acceptors36
Rotatable Bonds48
Heavy Atoms210
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002793.53
LogP ≤ 536.85
H-Bond Donors ≤ 518
H-Bond Acceptors ≤ 1036

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 2-N-[3-(ethylamino)phenyl]-4-N-(2-methyl-1H-inden-5-yl)pyrimidine-2,4-diamine;2-N-[3-[1-(2-methoxyethylamino)ethenyl]phenyl]-4-N-(2-methyl-1H-inden-5-yl)pyrimidine-2,4-diamine;6-methoxy-N-[4-[(2-methyl-1H-indol-5-yl)methyl]-2-pyridinyl]pyridin-3-amine;2-[3-[[4-[(2-methyl-1H-inden-5-yl)amino]pyrimidin-2-yl]amino]phenyl]-N-(2-morpholin-4-ylethyl)acetamide;1-[3-[[4-[(2-methyl-1H-inden-5-yl)amino]pyrimidin-2-yl]amino]phenyl]-4-piperidin-1-ylbutan-1-one;4-N-(2-methyl-1H-inden-5-yl)-2-N-(4-propylphenyl)pyrimidine-2,4-diamine;2-methyl-N-[4-[(2-methyl-1H-indol-5-yl)oxy]pyrimidin-2-yl]-1H-indol-5-amine with MolForge

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Related Compounds

US10994015, Example 301
CID 135205142
5-(6-acetamidopyrimidin-4-yl)oxy-N-[4-(1-methylpiperidin-4-yl)oxy-3-(trifluoromethyl)phenyl]indole-1-carboxamide;5-[6-(2-amino-2-oxoethyl)pyrimidin-4-yl]oxy-N-[4-[(4-cyclopropylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]indole-1-carboxamide;5-[6-(2-amino-2-oxoethyl)pyrimidin-4-yl]oxy-N-[4-(diethylamino)-3-(trifluoromethyl)phenyl]indole-1-carboxamide
CID 87780287
2-[3-[4-[6-(7-fluoro-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)quinazolin-2-yl]morpholin-2-yl]morpholin-4-yl]-5-[7-methoxy-9-[[2-(6-morpholin-4-yl-3-pyridinyl)-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl]methyl]-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl]-1,3-benzoxazole
CID 139316929
(2S,4R)-N-[8-[5-[[3-acetyl-1-[2-[(2S,4R)-4-fluoro-2-[(5-phenylmethoxy-2-pyridinyl)carbamoyl]pyrrolidin-1-yl]-2-oxoethyl]indol-5-yl]amino]pyrimidin-2-yl]naphthalen-2-yl]-1-[2-[3-acetyl-5-(pyrimidin-5-ylamino)indol-1-yl]acetyl]-4-fluoropyrrolidine-2-carboxamide
CID 144912177
N-[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]-5-fluoro-6-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]pyrimidin-4-amine;5-fluoro-6-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]-N-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]pyrimidin-4-amine;5-fluoro-6-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]-N-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]pyrimidin-4-amine;5-fluoro-6-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]-N-[4-(piperazin-1-ylmethyl)phenyl]pyrimidin-4-amine;[4-[[5-fluoro-6-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]pyrimidin-4-yl]amino]phenyl]-(4-methylpiperazin-1-yl)methanone
CID 157051306
4-[(4,7-difluoro-2-methyl-1H-indol-5-yl)oxy]-N-ethyl-N-methyl-6-[4-(4-methylpiperazine-1-carbonyl)anilino]pyrimidine-5-carboxamide;4-[(4,7-difluoro-2-methyl-1H-indol-5-yl)oxy]-N-ethyl-N-methyl-6-[[5-[(4-methylpiperazin-1-yl)methyl]-2-pyridinyl]amino]pyrimidine-5-carboxamide;4-[(4,7-difluoro-2-methyl-1H-indol-5-yl)oxy]-N-ethyl-N-methyl-6-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)anilino]pyrimidine-5-carboxamide;4-[(4,7-difluoro-2-methyl-1H-indol-5-yl)oxy]-N-ethyl-N-methyl-6-[[5-(piperazin-1-ylmethyl)-2-pyridinyl]amino]pyrimidine-5-carboxamide
CID 157133630
N-(1-hydroxy-2-methylpropan-2-yl)-6-(5-methoxy-1-methylindol-3-yl)-7H-pyrrolo[2,3-d]pyrimidine-4-carboxamide;N-(1-hydroxy-2-methylpropan-2-yl)-3-(4-methoxy-7H-pyrrolo[2,3-d]pyrimidin-6-yl)-1-methylindole-5-carboxamide;6-(5-methoxy-1-methylindol-3-yl)-N-methyl-7H-pyrrolo[2,3-d]pyrimidine-4-carboxamide;6-(5-methoxy-1-methylindol-3-yl)-7H-pyrrolo[2,3-d]pyrimidine-4-carbonitrile;6-(5-methoxy-1-methylindol-3-yl)-4-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidine
CID 157204082
[4-[[5-(azetidine-1-carbonyl)-6-[(4,7-difluoro-2-methyl-1H-indol-5-yl)oxy]pyrimidin-4-yl]amino]phenyl]-(4-methylpiperazin-1-yl)methanone;azetidin-1-yl-[4-[(4,7-difluoro-2-methyl-1H-indol-5-yl)oxy]-6-[[5-[(4-methylpiperazin-1-yl)methyl]-2-pyridinyl]amino]pyrimidin-5-yl]methanone;azetidin-1-yl-[4-[(4,7-difluoro-2-methyl-1H-indol-5-yl)oxy]-6-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)anilino]pyrimidin-5-yl]methanone
CID 157818596
N-(1-hydroxy-2-methylpropan-2-yl)-1-methyl-3-(7H-pyrrolo[2,3-d]pyrimidin-6-yl)indole-5-carboxamide;3-[6-[5-methoxy-1-(2-morpholin-4-yl-2-oxoethyl)indol-3-yl]-7H-pyrrolo[2,3-d]pyrimidin-4-yl]-N-methylpropanamide;2-[5-methoxy-3-(7H-pyrrolo[2,3-d]pyrimidin-6-yl)indol-1-yl]-1-morpholin-4-ylethanone;2-[5-methoxy-3-[4-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-6-yl]indol-1-yl]-1-piperidin-1-ylethanone
CID 157855391
N-[5-(2,4-difluorophenyl)-2-[4-[4-(5-isocyano-1H-indol-3-yl)butyl]piperazin-1-yl]-3-pyridinyl]formamide;5-(2,4-difluorophenyl)-2-[4-[3-(5-isocyano-1H-indol-3-yl)propyl]piperazin-1-yl]pyridine-3-carboxamide;N-[5-(4-fluoro-2-methoxyphenyl)-2-[4-[4-(5-isocyano-1H-indol-3-yl)butyl]piperazin-1-yl]-3-pyridinyl]formamide;5-(4-fluoro-2-methylphenyl)-2-[4-[3-(5-isocyano-1H-indol-3-yl)propyl]piperazin-1-yl]pyridine-3-carboxamide;N-[5-(4-fluorophenyl)-2-[4-[4-(5-isocyano-1H-indol-3-yl)butyl]piperazin-1-yl]-3-pyridinyl]formamide;5-(4-fluorophenyl)-2-[4-[3-(5-isocyano-1H-indol-3-yl)propyl]piperazin-1-yl]pyridine-3-carboxamide;N-[2-[4-[4-(5-isocyano-1H-indol-3-yl)butyl]piperazin-1-yl]-5-[3-(2,2,3-trifluorobutoxy)phenyl]-3-pyridinyl]formamide;2-[4-[3-(5-isocyano-1H-indol-3-yl)propyl]piperazin-1-yl]-5-[3-(2,2,3-trifluorobutoxy)phenyl]pyridine-3-carboxamide
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N-ethyl-4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-N-methyl-6-[4-(4-methylpiperazine-1-carbonyl)anilino]pyrimidine-5-carboxamide;N-ethyl-4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-N-methyl-6-[[5-[(4-methylpiperazin-1-yl)methyl]-2-pyridinyl]amino]pyrimidine-5-carboxamide;N-ethyl-4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-N-methyl-6-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)anilino]pyrimidine-5-carboxamide
CID 157913213
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CID 158180516

Frequently Asked Questions

What is the IUPAC name of 2-N-[3-(ethylamino)phenyl]-4-N-(2-methyl-1H-inden-5-yl)pyrimidine-2,4-diamine;2-N-[3-[1-(2-methoxyethylamino)ethenyl]phenyl]-4-N-(2-methyl-1H-inden-5-yl)pyrimidine-2,4-diamine;6-methoxy-N-[4-[(2-methyl-1H-indol-5-yl)methyl]-2-pyridinyl]pyridin-3-amine;2-[3-[[4-[(2-methyl-1H-inden-5-yl)amino]pyrimidin-2-yl]amino]phenyl]-N-(2-morpholin-4-ylethyl)acetamide;1-[3-[[4-[(2-methyl-1H-inden-5-yl)amino]pyrimidin-2-yl]amino]phenyl]-4-piperidin-1-ylbutan-1-one;4-N-(2-methyl-1H-inden-5-yl)-2-N-(4-propylphenyl)pyrimidine-2,4-diamine;2-methyl-N-[4-[(2-methyl-1H-indol-5-yl)oxy]pyrimidin-2-yl]-1H-indol-5-amine?
The IUPAC name of 2-N-[3-(ethylamino)phenyl]-4-N-(2-methyl-1H-inden-5-yl)pyrimidine-2,4-diamine;2-N-[3-[1-(2-methoxyethylamino)ethenyl]phenyl]-4-N-(2-methyl-1H-inden-5-yl)pyrimidine-2,4-diamine;6-methoxy-N-[4-[(2-methyl-1H-indol-5-yl)methyl]-2-pyridinyl]pyridin-3-amine;2-[3-[[4-[(2-methyl-1H-inden-5-yl)amino]pyrimidin-2-yl]amino]phenyl]-N-(2-morpholin-4-ylethyl)acetamide;1-[3-[[4-[(2-methyl-1H-inden-5-yl)amino]pyrimidin-2-yl]amino]phenyl]-4-piperidin-1-ylbutan-1-one;4-N-(2-methyl-1H-inden-5-yl)-2-N-(4-propylphenyl)pyrimidine-2,4-diamine;2-methyl-N-[4-[(2-methyl-1H-indol-5-yl)oxy]pyrimidin-2-yl]-1H-indol-5-amine (CID 158190092) is 2-N-[3-(ethylamino)phenyl]-4-N-(2-methyl-1H-inden-5-yl)pyrimidine-2,4-diamine;2-N-[3-[1-(2-methoxyethylamino)ethenyl]phenyl]-4-N-(2-methyl-1H-inden-5-yl)pyrimidine-2,4-diamine;6-methoxy-N-[4-[(2-methyl-1H-indol-5-yl)methyl]-2-pyridinyl]pyridin-3-amine;2-[3-[[4-[(2-methyl-1H-inden-5-yl)amino]pyrimidin-2-yl]amino]phenyl]-N-(2-morpholin-4-ylethyl)acetamide;1-[3-[[4-[(2-methyl-1H-inden-5-yl)amino]pyrimidin-2-yl]amino]phenyl]-4-piperidin-1-ylbutan-1-one;4-N-(2-methyl-1H-inden-5-yl)-2-N-(4-propylphenyl)pyrimidine-2,4-diamine;2-methyl-N-[4-[(2-methyl-1H-indol-5-yl)oxy]pyrimidin-2-yl]-1H-indol-5-amine.
What is the SMILES notation for 2-N-[3-(ethylamino)phenyl]-4-N-(2-methyl-1H-inden-5-yl)pyrimidine-2,4-diamine;2-N-[3-[1-(2-methoxyethylamino)ethenyl]phenyl]-4-N-(2-methyl-1H-inden-5-yl)pyrimidine-2,4-diamine;6-methoxy-N-[4-[(2-methyl-1H-indol-5-yl)methyl]-2-pyridinyl]pyridin-3-amine;2-[3-[[4-[(2-methyl-1H-inden-5-yl)amino]pyrimidin-2-yl]amino]phenyl]-N-(2-morpholin-4-ylethyl)acetamide;1-[3-[[4-[(2-methyl-1H-inden-5-yl)amino]pyrimidin-2-yl]amino]phenyl]-4-piperidin-1-ylbutan-1-one;4-N-(2-methyl-1H-inden-5-yl)-2-N-(4-propylphenyl)pyrimidine-2,4-diamine;2-methyl-N-[4-[(2-methyl-1H-indol-5-yl)oxy]pyrimidin-2-yl]-1H-indol-5-amine?
The canonical SMILES for 2-N-[3-(ethylamino)phenyl]-4-N-(2-methyl-1H-inden-5-yl)pyrimidine-2,4-diamine;2-N-[3-[1-(2-methoxyethylamino)ethenyl]phenyl]-4-N-(2-methyl-1H-inden-5-yl)pyrimidine-2,4-diamine;6-methoxy-N-[4-[(2-methyl-1H-indol-5-yl)methyl]-2-pyridinyl]pyridin-3-amine;2-[3-[[4-[(2-methyl-1H-inden-5-yl)amino]pyrimidin-2-yl]amino]phenyl]-N-(2-morpholin-4-ylethyl)acetamide;1-[3-[[4-[(2-methyl-1H-inden-5-yl)amino]pyrimidin-2-yl]amino]phenyl]-4-piperidin-1-ylbutan-1-one;4-N-(2-methyl-1H-inden-5-yl)-2-N-(4-propylphenyl)pyrimidine-2,4-diamine;2-methyl-N-[4-[(2-methyl-1H-indol-5-yl)oxy]pyrimidin-2-yl]-1H-indol-5-amine is C=C(NCCOC)c1cccc(Nc2nccc(Nc3ccc4c(c3)C=C(C)C4)n2)c1.CC1=Cc2cc(Nc3ccnc(Nc4cccc(C(=O)CCCN5CCCCC5)c4)n3)ccc2C1.CC1=Cc2cc(Nc3ccnc(Nc4cccc(CC(=O)NCCN5CCOCC5)c4)n3)ccc2C1.CCCc1ccc(Nc2nccc(Nc3ccc4c(c3)C=C(C)C4)n2)cc1.CCNc1cccc(Nc2nccc(Nc3ccc4c(c3)C=C(C)C4)n2)c1.COc1ccc(Nc2cc(Cc3ccc4[nH]c(C)cc4c3)ccn2)cn1.Cc1cc2cc(Nc3nccc(Oc4ccc5[nH]c(C)cc5c4)n3)ccc2[nH]1.
What is the InChIKey of 2-N-[3-(ethylamino)phenyl]-4-N-(2-methyl-1H-inden-5-yl)pyrimidine-2,4-diamine;2-N-[3-[1-(2-methoxyethylamino)ethenyl]phenyl]-4-N-(2-methyl-1H-inden-5-yl)pyrimidine-2,4-diamine;6-methoxy-N-[4-[(2-methyl-1H-indol-5-yl)methyl]-2-pyridinyl]pyridin-3-amine;2-[3-[[4-[(2-methyl-1H-inden-5-yl)amino]pyrimidin-2-yl]amino]phenyl]-N-(2-morpholin-4-ylethyl)acetamide;1-[3-[[4-[(2-methyl-1H-inden-5-yl)amino]pyrimidin-2-yl]amino]phenyl]-4-piperidin-1-ylbutan-1-one;4-N-(2-methyl-1H-inden-5-yl)-2-N-(4-propylphenyl)pyrimidine-2,4-diamine;2-methyl-N-[4-[(2-methyl-1H-indol-5-yl)oxy]pyrimidin-2-yl]-1H-indol-5-amine?
The InChIKey is FZQKIVCBKSCEDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H33N5O.C28H32N6O2.C25H27N5O.C23H24N4.C22H19N5O.C22H23N5.C21H20N4O/c1-21-17-22-10-11-26(20-24(22)18-21)31-28-12-13-30-29(33-28)32-25-8-5-7-23(19-25)27(35)9-6-16-34-14-3-2-4-15-34;1-20-15-22-5-6-25(19-23(22)16-20)31-26-7-8-30-28(33-26)32-24-4-2-3-21(17-24)18-27(35)29-9-10-34-11-13-36-14-12-34;1-17-13-20-7-8-23(16-21(20)14-17)28-24-9-10-27-25(30-24)29-22-6-4-5-19(15-22)18(2)26-11-12-31-3;1-3-4-17-5-8-20(9-6-17)26-23-24-12-11-22(27-23)25-21-10-7-18-13-16(2)14-19(18)15-21;1-13-9-15-11-17(3-5-19(15)24-13)26-22-23-8-7-21(27-22)28-18-4-6-20-16(12-18)10-14(2)25-20;1-3-23-18-5-4-6-19(14-18)26-22-24-10-9-21(27-22)25-20-8-7-16-11-15(2)12-17(16)13-20;1-14-9-17-11-15(3-5-19(17)24-14)10-16-7-8-22-20(12-16)25-18-4-6-21(26-2)23-13-18/h5,7-8,10-13,18-20H,2-4,6,9,14-17H2,1H3,(H2,30,31,32,33);2-8,16-17,19H,9-15,18H2,1H3,(H,29,35)(H2,30,31,32,33);4-10,14-16,26H,2,11-13H2,1,3H3,(H2,27,28,29,30);5-12,14-15H,3-4,13H2,1-2H3,(H2,24,25,26,27);3-12,24-25H,1-2H3,(H,23,26,27);4-10,12-14,23H,3,11H2,1-2H3,(H2,24,25,26,27);3-9,11-13,24H,10H2,1-2H3,(H,22,25).
What are the key properties of 2-N-[3-(ethylamino)phenyl]-4-N-(2-methyl-1H-inden-5-yl)pyrimidine-2,4-diamine;2-N-[3-[1-(2-methoxyethylamino)ethenyl]phenyl]-4-N-(2-methyl-1H-inden-5-yl)pyrimidine-2,4-diamine;6-methoxy-N-[4-[(2-methyl-1H-indol-5-yl)methyl]-2-pyridinyl]pyridin-3-amine;2-[3-[[4-[(2-methyl-1H-inden-5-yl)amino]pyrimidin-2-yl]amino]phenyl]-N-(2-morpholin-4-ylethyl)acetamide;1-[3-[[4-[(2-methyl-1H-inden-5-yl)amino]pyrimidin-2-yl]amino]phenyl]-4-piperidin-1-ylbutan-1-one;4-N-(2-methyl-1H-inden-5-yl)-2-N-(4-propylphenyl)pyrimidine-2,4-diamine;2-methyl-N-[4-[(2-methyl-1H-indol-5-yl)oxy]pyrimidin-2-yl]-1H-indol-5-amine?
2-N-[3-(ethylamino)phenyl]-4-N-(2-methyl-1H-inden-5-yl)pyrimidine-2,4-diamine;2-N-[3-[1-(2-methoxyethylamino)ethenyl]phenyl]-4-N-(2-methyl-1H-inden-5-yl)pyrimidine-2,4-diamine;6-methoxy-N-[4-[(2-methyl-1H-indol-5-yl)methyl]-2-pyridinyl]pyridin-3-amine;2-[3-[[4-[(2-methyl-1H-inden-5-yl)amino]pyrimidin-2-yl]amino]phenyl]-N-(2-morpholin-4-ylethyl)acetamide;1-[3-[[4-[(2-methyl-1H-inden-5-yl)amino]pyrimidin-2-yl]amino]phenyl]-4-piperidin-1-ylbutan-1-one;4-N-(2-methyl-1H-inden-5-yl)-2-N-(4-propylphenyl)pyrimidine-2,4-diamine;2-methyl-N-[4-[(2-methyl-1H-indol-5-yl)oxy]pyrimidin-2-yl]-1H-indol-5-amine has a molecular weight of 2793.53 g/mol, XLogP of 36.85, 48 rotatable bonds, 18 hydrogen bond donors, and 36 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[3-(ethylamino)phenyl]-4-N-(2-methyl-1H-inden-5-yl)pyrimidine-2,4-diamine;2-N-[3-[1-(2-methoxyethylamino)ethenyl]phenyl]-4-N-(2-methyl-1H-inden-5-yl)pyrimidine-2,4-diamine;6-methoxy-N-[4-[(2-methyl-1H-indol-5-yl)methyl]-2-pyridinyl]pyridin-3-amine;2-[3-[[4-[(2-methyl-1H-inden-5-yl)amino]pyrimidin-2-yl]amino]phenyl]-N-(2-morpholin-4-ylethyl)acetamide;1-[3-[[4-[(2-methyl-1H-inden-5-yl)amino]pyrimidin-2-yl]amino]phenyl]-4-piperidin-1-ylbutan-1-one;4-N-(2-methyl-1H-inden-5-yl)-2-N-(4-propylphenyl)pyrimidine-2,4-diamine;2-methyl-N-[4-[(2-methyl-1H-indol-5-yl)oxy]pyrimidin-2-yl]-1H-indol-5-amine is sourced from PubChem (CID 158190092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).