N-[3-(2-aminoethoxy)phenyl]-4-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]pyrimidin-2-amine;tert-butyl 4-[2-[3-[[4-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]pyrimidin-2-yl]amino]phenoxy]ethyl]piperazine-1-carboxylate;4-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]-N-[3-(2-methylsulfonylethyl)phenyl]pyrimidin-2-amine;4-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]-N-[4-(methylsulfonylmethyl)phenyl]pyrimidin-2-amine;4-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]-N-[3-(oxan-4-yloxy)phenyl]pyrimidin-2-amine;1-[3-[[4-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]pyrimidin-2-yl]amino]phenyl]pentan-1-one

C148H147F6N21O17S2 — CID 161397962

IUPACN-[3-(2-aminoethoxy)phenyl]-4-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]pyrimidin-2-amine;tert-butyl 4-[2-[3-[[4-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]pyrimidin-2-yl]amino]phenoxy]ethyl]piperazine-1-carboxylate;4-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]-N-[3-(2-methylsulfonylethyl)phenyl]pyrimidin-2-amine;4-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]-N-[4-(methylsulfonylmethyl)phenyl]pyrimidin-2-amine;4-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]-N-[3-(oxan-4-yloxy)phenyl]pyrimidin-2-amine;1-[3-[[4-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]pyrimidin-2-yl]amino]phenyl]pentan-1-one
SMILESCC1=Cc2c(ccc(Oc3ccnc(Nc4ccc(CS(C)(=O)=O)cc4)n3)c2F)C1.CC1=Cc2c(ccc(Oc3ccnc(Nc4cccc(CCS(C)(=O)=O)c4)n3)c2F)C1.CC1=Cc2c(ccc(Oc3ccnc(Nc4cccc(OC5CCOCC5)c4)n3)c2F)C1.CC1=Cc2c(ccc(Oc3ccnc(Nc4cccc(OCCN)c4)n3)c2F)C1.CC1=Cc2c(ccc(Oc3ccnc(Nc4cccc(OCCN5CCN(C(=O)OC(C)(C)C)CC5)c4)n3)c2F)C1.CCCCC(=O)c1cccc(Nc2nccc(Oc3ccc4c(c3F)C=C(C)C4)n2)c1
InChIInChI=1S/C31H36FN5O4.C25H24FN3O3.C25H24FN3O2.C23H22FN3O3S.C22H21FN4O2.C22H20FN3O3S/c1-21-18-22-8-9-26(28(32)25(22)19-21)40-27-10-11-33-29(35-27)34-23-6-5-7-24(20-23)39-17-16-36-12-14-37(15-13-36)30(38)41-31(2,3)4;1-16-13-17-5-6-22(24(26)21(17)14-16)32-23-7-10-27-25(29-23)28-18-3-2-4-20(15-18)31-19-8-11-30-12-9-19;1-3-4-8-21(30)18-6-5-7-19(15-18)28-25-27-12-11-23(29-25)31-22-10-9-17-13-16(2)14-20(17)24(22)26;1-15-12-17-6-7-20(22(24)19(17)13-15)30-21-8-10-25-23(27-21)26-18-5-3-4-16(14-18)9-11-31(2,28)29;1-14-11-15-5-6-19(21(23)18(15)12-14)29-20-7-9-25-22(27-20)26-16-3-2-4-17(13-16)28-10-8-24;1-14-11-16-5-8-19(21(23)18(16)12-14)29-20-9-10-24-22(26-20)25-17-6-3-15(4-7-17)13-30(2,27)28/h5-11,19-20H,12-18H2,1-4H3,(H,33,34,35);2-7,10,14-15,19H,8-9,11-13H2,1H3,(H,27,28,29);5-7,9-12,14-15H,3-4,8,13H2,1-2H3,(H,27,28,29);3-8,10,13-14H,9,11-12H2,1-2H3,(H,25,26,27);2-7,9,12-13H,8,10-11,24H2,1H3,(H,25,26,27);3-10,12H,11,13H2,1-2H3,(H,24,25,26)
InChIKeyVTVYKAFLOPIATR-UHFFFAOYSA-N
MW2670.06 g/mol
LogP32.00
Rot. Bonds42

About N-[3-(2-aminoethoxy)phenyl]-4-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]pyrimidin-2-amine;tert-butyl 4-[2-[3-[[4-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]pyrimidin-2-yl]amino]phenoxy]ethyl]piperazine-1-carboxylate;4-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]-N-[3-(2-methylsulfonylethyl)phenyl]pyrimidin-2-amine;4-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]-N-[4-(methylsulfonylmethyl)phenyl]pyrimidin-2-amine;4-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]-N-[3-(oxan-4-yloxy)phenyl]pyrimidin-2-amine;1-[3-[[4-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]pyrimidin-2-yl]amino]phenyl]pentan-1-one

N-[3-(2-aminoethoxy)phenyl]-4-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]pyrimidin-2-amine;tert-butyl 4-[2-[3-[[4-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]pyrimidin-2-yl]amino]phenoxy]ethyl]piperazine-1-carboxylate;4-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]-N-[3-(2-methylsulfonylethyl)phenyl]pyrimidin-2-amine;4-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]-N-[4-(methylsulfonylmethyl)phenyl]pyrimidin-2-amine;4-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]-N-[3-(oxan-4-yloxy)phenyl]pyrimidin-2-amine;1-[3-[[4-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]pyrimidin-2-yl]amino]phenyl]pentan-1-one (PubChem CID 161397962) has the molecular formula C148H147F6N21O17S2 and a molecular weight of 2670.06 g/mol. Its IUPAC name is N-[3-(2-aminoethoxy)phenyl]-4-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]pyrimidin-2-amine;tert-butyl 4-[2-[3-[[4-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]pyrimidin-2-yl]amino]phenoxy]ethyl]piperazine-1-carboxylate;4-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]-N-[3-(2-methylsulfonylethyl)phenyl]pyrimidin-2-amine;4-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]-N-[4-(methylsulfonylmethyl)phenyl]pyrimidin-2-amine;4-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]-N-[3-(oxan-4-yloxy)phenyl]pyrimidin-2-amine;1-[3-[[4-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]pyrimidin-2-yl]amino]phenyl]pentan-1-one.

Molecular Properties

Compound NameN-[3-(2-aminoethoxy)phenyl]-4-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]pyrimidin-2-amine;tert-butyl 4-[2-[3-[[4-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]pyrimidin-2-yl]amino]phenoxy]ethyl]piperazine-1-carboxylate;4-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]-N-[3-(2-methylsulfonylethyl)phenyl]pyrimidin-2-amine;4-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]-N-[4-(methylsulfonylmethyl)phenyl]pyrimidin-2-amine;4-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]-N-[3-(oxan-4-yloxy)phenyl]pyrimidin-2-amine;1-[3-[[4-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]pyrimidin-2-yl]amino]phenyl]pentan-1-one
PubChem CID161397962
Molecular FormulaC148H147F6N21O17S2
Molecular Weight2670.06 g/mol
Exact Mass2668.06
IUPAC NameN-[3-(2-aminoethoxy)phenyl]-4-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]pyrimidin-2-amine;tert-butyl 4-[2-[3-[[4-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]pyrimidin-2-yl]amino]phenoxy]ethyl]piperazine-1-carboxylate;4-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]-N-[3-(2-methylsulfonylethyl)phenyl]pyrimidin-2-amine;4-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]-N-[4-(methylsulfonylmethyl)phenyl]pyrimidin-2-amine;4-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]-N-[3-(oxan-4-yloxy)phenyl]pyrimidin-2-amine;1-[3-[[4-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]pyrimidin-2-yl]amino]phenyl]pentan-1-one
SMILESCC1=Cc2c(ccc(Oc3ccnc(Nc4ccc(CS(C)(=O)=O)cc4)n3)c2F)C1.CC1=Cc2c(ccc(Oc3ccnc(Nc4cccc(CCS(C)(=O)=O)c4)n3)c2F)C1.CC1=Cc2c(ccc(Oc3ccnc(Nc4cccc(OC5CCOCC5)c4)n3)c2F)C1.CC1=Cc2c(ccc(Oc3ccnc(Nc4cccc(OCCN)c4)n3)c2F)C1.CC1=Cc2c(ccc(Oc3ccnc(Nc4cccc(OCCN5CCN(C(=O)OC(C)(C)C)CC5)c4)n3)c2F)C1.CCCCC(=O)c1cccc(Nc2nccc(Oc3ccc4c(c3F)C=C(C)C4)n2)c1
InChIInChI=1S/C31H36FN5O4.C25H24FN3O3.C25H24FN3O2.C23H22FN3O3S.C22H21FN4O2.C22H20FN3O3S/c1-21-18-22-8-9-26(28(32)25(22)19-21)40-27-10-11-33-29(35-27)34-23-6-5-7-24(20-23)39-17-16-36-12-14-37(15-13-36)30(38)41-31(2,3)4;1-16-13-17-5-6-22(24(26)21(17)14-16)32-23-7-10-27-25(29-23)28-18-3-2-4-20(15-18)31-19-8-11-30-12-9-19;1-3-4-8-21(30)18-6-5-7-19(15-18)28-25-27-12-11-23(29-25)31-22-10-9-17-13-16(2)14-20(17)24(22)26;1-15-12-17-6-7-20(22(24)19(17)13-15)30-21-8-10-25-23(27-21)26-18-5-3-4-16(14-18)9-11-31(2,28)29;1-14-11-15-5-6-19(21(23)18(15)12-14)29-20-7-9-25-22(27-20)26-16-3-2-4-17(13-16)28-10-8-24;1-14-11-16-5-8-19(21(23)18(16)12-14)29-20-9-10-24-22(26-20)25-17-6-3-15(4-7-17)13-30(2,27)28/h5-11,19-20H,12-18H2,1-4H3,(H,33,34,35);2-7,10,14-15,19H,8-9,11-13H2,1H3,(H,27,28,29);5-7,9-12,14-15H,3-4,8,13H2,1-2H3,(H,27,28,29);3-8,10,13-14H,9,11-12H2,1-2H3,(H,25,26,27);2-7,9,12-13H,8,10-11,24H2,1H3,(H,25,26,27);3-10,12H,11,13H2,1-2H3,(H,24,25,26)
InChIKeyVTVYKAFLOPIATR-UHFFFAOYSA-N
XLogP32.00
TPSA463.31 Ų
H-Bond Donors7
H-Bond Acceptors37
Rotatable Bonds42
Heavy Atoms194
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002670.06
LogP ≤ 532.00
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1037

Analyze N-[3-(2-aminoethoxy)phenyl]-4-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]pyrimidin-2-amine;tert-butyl 4-[2-[3-[[4-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]pyrimidin-2-yl]amino]phenoxy]ethyl]piperazine-1-carboxylate;4-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]-N-[3-(2-methylsulfonylethyl)phenyl]pyrimidin-2-amine;4-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]-N-[4-(methylsulfonylmethyl)phenyl]pyrimidin-2-amine;4-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]-N-[3-(oxan-4-yloxy)phenyl]pyrimidin-2-amine;1-[3-[[4-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]pyrimidin-2-yl]amino]phenyl]pentan-1-one with MolForge

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Related Compounds

N-[3-[1-(2-methoxyethylamino)ethenyl]phenyl]-4-[(2-methyl-1H-inden-5-yl)oxy]pyrimidin-2-amine;4-[(2-methyl-1H-inden-5-yl)oxy]-N-(4-propylphenyl)pyrimidin-2-amine;1-[3-[[4-[(2-methyl-1H-inden-5-yl)oxy]pyrimidin-2-yl]amino]phenyl]pentan-3-one;1-[3-[[4-[(2-methyl-1H-inden-5-yl)oxy]pyrimidin-2-yl]amino]phenyl]-4-piperidin-1-ylbutan-1-one
CID 157345255
2-N-[3-(2-aminoethoxy)phenyl]-4-N-(2-methyl-1H-inden-5-yl)pyrimidine-2,4-diamine;1-[3-[[4-[(2-methyl-1H-inden-5-yl)amino]pyrimidin-2-yl]amino]phenyl]-4-morpholin-4-ylbutan-1-one;1-[3-[[4-[(2-methyl-1H-inden-5-yl)amino]pyrimidin-2-yl]amino]phenyl]pentan-1-one;1-[3-[[4-[(2-methyl-1H-inden-5-yl)amino]pyrimidin-2-yl]amino]phenyl]pentan-3-one;4-N-(2-methyl-1H-inden-5-yl)-2-N-[3-(2-methylsulfonylethyl)phenyl]pyrimidine-2,4-diamine;N-methyl-4-[3-[[4-[(2-methyl-1H-inden-5-yl)amino]pyrimidin-2-yl]amino]phenyl]-4-oxobutanamide
CID 157860761
CID 158162317
CID 158162317
6-[(4,7-difluoro-2-methyl-1H-inden-5-yl)oxy]-5-fluoro-N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]pyrimidin-4-amine;6-[(4,7-difluoro-2-methyl-1H-inden-5-yl)oxy]-5-fluoro-N-(4-morpholin-4-ylphenyl)pyrimidin-4-amine;4-[[6-[(4,7-difluoro-2-methyl-1H-inden-5-yl)oxy]-5-fluoropyrimidin-4-yl]amino]-N-methylbenzamide;1-[4-[4-[[6-[(4,7-difluoro-2-methyl-1H-inden-5-yl)oxy]-5-fluoropyrimidin-4-yl]amino]phenyl]piperazin-1-yl]ethanone;1-[4-[[6-[(4,7-difluoro-2-methyl-1H-inden-5-yl)oxy]-5-fluoropyrimidin-4-yl]amino]phenyl]propan-2-one
CID 158199078
N-cyclopropyl-2-[3-[[4-[(2-methyl-1H-inden-5-yl)oxy]pyrimidin-2-yl]amino]phenyl]acetamide;N-[3-[2-(dimethylamino)ethoxy]phenyl]-4-[(2-methyl-1H-inden-5-yl)oxy]pyrimidin-2-amine;N-[3-[3-(dimethylamino)propoxy]phenyl]-4-[(2-methyl-1H-inden-5-yl)oxy]pyrimidin-2-amine;4-[(2-methyl-1H-inden-5-yl)oxy]-N-[3-(3-methylsulfonylpropoxy)phenyl]pyrimidin-2-amine;2-[3-[[4-[(2-methyl-1H-inden-5-yl)oxy]pyrimidin-2-yl]amino]phenoxy]ethanol
CID 158532554
6-[(4,7-difluoro-2-methyl-1H-inden-5-yl)oxy]-5-isocyano-N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]pyrimidin-4-amine;6-[(4,7-difluoro-2-methyl-1H-inden-5-yl)oxy]-5-isocyano-N-(4-morpholin-4-ylphenyl)pyrimidin-4-amine;4-[[6-[(4,7-difluoro-2-methyl-1H-inden-5-yl)oxy]-5-isocyanopyrimidin-4-yl]amino]-N-methylbenzamide;1-[4-[4-[[6-[(4,7-difluoro-2-methyl-1H-inden-5-yl)oxy]-5-isocyanopyrimidin-4-yl]amino]phenyl]piperazin-1-yl]ethanone;1-[4-[[6-[(4,7-difluoro-2-methyl-1H-inden-5-yl)oxy]-5-isocyanopyrimidin-4-yl]amino]phenyl]propan-2-one
CID 158770777
N-(2-methoxyethyl)-3-[4-[(2-methyl-1H-inden-5-yl)amino]pyrimidin-2-yl]oxybenzamide;5-[2-[(6-methoxy-3-pyridinyl)methyl]pyrimidin-4-yl]oxy-2-methyl-1H-indole;methyl 2-[4-[[4-[(4-fluoro-2-methyl-1H-indol-5-yl)amino]pyrimidin-2-yl]amino]phenyl]acetate;4-[(2-methyl-1H-inden-5-yl)oxy]-N-(4-propylphenyl)pyrimidin-2-amine;1-[3-[[4-[(2-methyl-1H-inden-5-yl)oxy]pyrimidin-2-yl]amino]phenyl]-4-morpholin-4-ylbutan-1-one;2-[3-[[4-[(2-methyl-1H-inden-5-yl)oxy]pyrimidin-2-yl]amino]phenyl]-N-(2-morpholin-4-ylethyl)acetamide;1-[3-[[4-[(2-methyl-1H-inden-5-yl)oxy]pyrimidin-2-yl]amino]phenyl]pentan-3-one;1-[3-[[4-[(2-methyl-1H-inden-5-yl)oxy]pyrimidin-2-yl]amino]phenyl]-4-piperidin-1-ylbutan-1-one;N-methyl-1-[3-[[4-[(2-methyl-1H-inden-5-yl)oxy]pyrimidin-2-yl]amino]phenyl]methanesulfonamide;2-methyl-5-[2-[[3-(2-methylsulfonylethoxy)phenyl]methyl]pyrimidin-4-yl]oxy-1H-indole
CID 158878226
N-[3-[3-(1,1-dioxo-1,4-thiazinan-4-yl)propoxy]phenyl]-4-[(2-methyl-1H-inden-5-yl)oxy]pyrimidin-2-amine;5-[[2-[(3-methoxyphenyl)methyl]-4-pyridinyl]oxy]-2-methyl-1H-indole;4-[(2-methyl-1H-inden-5-yl)oxy]-N-[4-(methylsulfonylmethyl)phenyl]pyrimidin-2-amine;1-[3-[[4-[(2-methyl-1H-inden-5-yl)oxy]pyrimidin-2-yl]amino]phenyl]propan-1-one
CID 158900779
CID 158917004
CID 158917004
N-[3-(2-aminoethoxy)phenyl]-4-[(2-methyl-1H-inden-5-yl)oxy]pyrimidin-2-amine;4-[(2-methyl-1H-inden-5-yl)oxy]-N-[3-(2-methylsulfonylethyl)phenyl]pyrimidin-2-amine;4-[(2-methyl-1H-inden-5-yl)oxy]-N-[3-(2-piperazin-1-ylethoxy)phenyl]pyrimidin-2-amine;1-[3-[[4-[(2-methyl-1H-inden-5-yl)oxy]pyrimidin-2-yl]amino]phenyl]-4-morpholin-4-ylbutan-1-one;1-[3-[[4-[(2-methyl-1H-inden-5-yl)oxy]pyrimidin-2-yl]amino]phenyl]pentan-1-one;N-methyl-4-[3-[[4-[(2-methyl-1H-inden-5-yl)oxy]pyrimidin-2-yl]amino]phenyl]-4-oxobutanamide
CID 159280904
2-N-[3-(2-aminoethoxy)phenyl]-4-N-(4-fluoro-2-methyl-1H-inden-5-yl)pyrimidine-2,4-diamine;3-[3-[[4-[(4-fluoro-2-methyl-1H-inden-5-yl)amino]pyrimidin-2-yl]amino]phenyl]-N,N-dimethylpropanamide;1-[3-[[4-[(4-fluoro-2-methyl-1H-inden-5-yl)amino]pyrimidin-2-yl]amino]phenyl]pentan-1-one;(E)-1-[3-[[4-[(4-fluoro-2-methyl-1H-inden-5-yl)amino]pyrimidin-2-yl]amino]phenyl]pent-1-en-3-one;4-N-(4-fluoro-2-methyl-1H-inden-5-yl)-2-N-[3-(2-methylsulfonylethyl)phenyl]pyrimidine-2,4-diamine;4-N-(4-fluoro-2-methyl-1H-inden-5-yl)-2-N-[3-(oxan-4-ylmethoxy)phenyl]pyrimidine-2,4-diamine
CID 159284348
4-(dimethylamino)-1-[3-[[4-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]pyrimidin-2-yl]amino]phenyl]butan-1-one;4-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]-N-[3-[2-(methylamino)ethoxy]phenyl]pyrimidin-2-amine;4-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]-N-[3-(morpholin-4-ylmethyl)phenyl]pyrimidin-2-amine;2-[1-[[3-[[4-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]pyrimidin-2-yl]amino]phenyl]methyl]piperidin-4-yl]ethanol;[1-[[3-[[4-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]pyrimidin-2-yl]amino]phenyl]methyl]piperidin-4-yl]methanol;(E)-3-[3-[[4-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]pyrimidin-2-yl]amino]phenyl]-1-morpholin-4-ylprop-2-en-1-one
CID 159328533

Frequently Asked Questions

What is the IUPAC name of N-[3-(2-aminoethoxy)phenyl]-4-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]pyrimidin-2-amine;tert-butyl 4-[2-[3-[[4-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]pyrimidin-2-yl]amino]phenoxy]ethyl]piperazine-1-carboxylate;4-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]-N-[3-(2-methylsulfonylethyl)phenyl]pyrimidin-2-amine;4-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]-N-[4-(methylsulfonylmethyl)phenyl]pyrimidin-2-amine;4-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]-N-[3-(oxan-4-yloxy)phenyl]pyrimidin-2-amine;1-[3-[[4-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]pyrimidin-2-yl]amino]phenyl]pentan-1-one?
The IUPAC name of N-[3-(2-aminoethoxy)phenyl]-4-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]pyrimidin-2-amine;tert-butyl 4-[2-[3-[[4-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]pyrimidin-2-yl]amino]phenoxy]ethyl]piperazine-1-carboxylate;4-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]-N-[3-(2-methylsulfonylethyl)phenyl]pyrimidin-2-amine;4-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]-N-[4-(methylsulfonylmethyl)phenyl]pyrimidin-2-amine;4-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]-N-[3-(oxan-4-yloxy)phenyl]pyrimidin-2-amine;1-[3-[[4-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]pyrimidin-2-yl]amino]phenyl]pentan-1-one (CID 161397962) is N-[3-(2-aminoethoxy)phenyl]-4-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]pyrimidin-2-amine;tert-butyl 4-[2-[3-[[4-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]pyrimidin-2-yl]amino]phenoxy]ethyl]piperazine-1-carboxylate;4-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]-N-[3-(2-methylsulfonylethyl)phenyl]pyrimidin-2-amine;4-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]-N-[4-(methylsulfonylmethyl)phenyl]pyrimidin-2-amine;4-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]-N-[3-(oxan-4-yloxy)phenyl]pyrimidin-2-amine;1-[3-[[4-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]pyrimidin-2-yl]amino]phenyl]pentan-1-one.
What is the SMILES notation for N-[3-(2-aminoethoxy)phenyl]-4-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]pyrimidin-2-amine;tert-butyl 4-[2-[3-[[4-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]pyrimidin-2-yl]amino]phenoxy]ethyl]piperazine-1-carboxylate;4-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]-N-[3-(2-methylsulfonylethyl)phenyl]pyrimidin-2-amine;4-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]-N-[4-(methylsulfonylmethyl)phenyl]pyrimidin-2-amine;4-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]-N-[3-(oxan-4-yloxy)phenyl]pyrimidin-2-amine;1-[3-[[4-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]pyrimidin-2-yl]amino]phenyl]pentan-1-one?
The canonical SMILES for N-[3-(2-aminoethoxy)phenyl]-4-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]pyrimidin-2-amine;tert-butyl 4-[2-[3-[[4-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]pyrimidin-2-yl]amino]phenoxy]ethyl]piperazine-1-carboxylate;4-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]-N-[3-(2-methylsulfonylethyl)phenyl]pyrimidin-2-amine;4-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]-N-[4-(methylsulfonylmethyl)phenyl]pyrimidin-2-amine;4-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]-N-[3-(oxan-4-yloxy)phenyl]pyrimidin-2-amine;1-[3-[[4-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]pyrimidin-2-yl]amino]phenyl]pentan-1-one is CC1=Cc2c(ccc(Oc3ccnc(Nc4ccc(CS(C)(=O)=O)cc4)n3)c2F)C1.CC1=Cc2c(ccc(Oc3ccnc(Nc4cccc(CCS(C)(=O)=O)c4)n3)c2F)C1.CC1=Cc2c(ccc(Oc3ccnc(Nc4cccc(OC5CCOCC5)c4)n3)c2F)C1.CC1=Cc2c(ccc(Oc3ccnc(Nc4cccc(OCCN)c4)n3)c2F)C1.CC1=Cc2c(ccc(Oc3ccnc(Nc4cccc(OCCN5CCN(C(=O)OC(C)(C)C)CC5)c4)n3)c2F)C1.CCCCC(=O)c1cccc(Nc2nccc(Oc3ccc4c(c3F)C=C(C)C4)n2)c1.
What is the InChIKey of N-[3-(2-aminoethoxy)phenyl]-4-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]pyrimidin-2-amine;tert-butyl 4-[2-[3-[[4-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]pyrimidin-2-yl]amino]phenoxy]ethyl]piperazine-1-carboxylate;4-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]-N-[3-(2-methylsulfonylethyl)phenyl]pyrimidin-2-amine;4-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]-N-[4-(methylsulfonylmethyl)phenyl]pyrimidin-2-amine;4-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]-N-[3-(oxan-4-yloxy)phenyl]pyrimidin-2-amine;1-[3-[[4-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]pyrimidin-2-yl]amino]phenyl]pentan-1-one?
The InChIKey is VTVYKAFLOPIATR-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H36FN5O4.C25H24FN3O3.C25H24FN3O2.C23H22FN3O3S.C22H21FN4O2.C22H20FN3O3S/c1-21-18-22-8-9-26(28(32)25(22)19-21)40-27-10-11-33-29(35-27)34-23-6-5-7-24(20-23)39-17-16-36-12-14-37(15-13-36)30(38)41-31(2,3)4;1-16-13-17-5-6-22(24(26)21(17)14-16)32-23-7-10-27-25(29-23)28-18-3-2-4-20(15-18)31-19-8-11-30-12-9-19;1-3-4-8-21(30)18-6-5-7-19(15-18)28-25-27-12-11-23(29-25)31-22-10-9-17-13-16(2)14-20(17)24(22)26;1-15-12-17-6-7-20(22(24)19(17)13-15)30-21-8-10-25-23(27-21)26-18-5-3-4-16(14-18)9-11-31(2,28)29;1-14-11-15-5-6-19(21(23)18(15)12-14)29-20-7-9-25-22(27-20)26-16-3-2-4-17(13-16)28-10-8-24;1-14-11-16-5-8-19(21(23)18(16)12-14)29-20-9-10-24-22(26-20)25-17-6-3-15(4-7-17)13-30(2,27)28/h5-11,19-20H,12-18H2,1-4H3,(H,33,34,35);2-7,10,14-15,19H,8-9,11-13H2,1H3,(H,27,28,29);5-7,9-12,14-15H,3-4,8,13H2,1-2H3,(H,27,28,29);3-8,10,13-14H,9,11-12H2,1-2H3,(H,25,26,27);2-7,9,12-13H,8,10-11,24H2,1H3,(H,25,26,27);3-10,12H,11,13H2,1-2H3,(H,24,25,26).
What are the key properties of N-[3-(2-aminoethoxy)phenyl]-4-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]pyrimidin-2-amine;tert-butyl 4-[2-[3-[[4-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]pyrimidin-2-yl]amino]phenoxy]ethyl]piperazine-1-carboxylate;4-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]-N-[3-(2-methylsulfonylethyl)phenyl]pyrimidin-2-amine;4-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]-N-[4-(methylsulfonylmethyl)phenyl]pyrimidin-2-amine;4-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]-N-[3-(oxan-4-yloxy)phenyl]pyrimidin-2-amine;1-[3-[[4-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]pyrimidin-2-yl]amino]phenyl]pentan-1-one?
N-[3-(2-aminoethoxy)phenyl]-4-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]pyrimidin-2-amine;tert-butyl 4-[2-[3-[[4-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]pyrimidin-2-yl]amino]phenoxy]ethyl]piperazine-1-carboxylate;4-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]-N-[3-(2-methylsulfonylethyl)phenyl]pyrimidin-2-amine;4-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]-N-[4-(methylsulfonylmethyl)phenyl]pyrimidin-2-amine;4-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]-N-[3-(oxan-4-yloxy)phenyl]pyrimidin-2-amine;1-[3-[[4-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]pyrimidin-2-yl]amino]phenyl]pentan-1-one has a molecular weight of 2670.06 g/mol, XLogP of 32.00, 42 rotatable bonds, 7 hydrogen bond donors, and 37 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-aminoethoxy)phenyl]-4-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]pyrimidin-2-amine;tert-butyl 4-[2-[3-[[4-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]pyrimidin-2-yl]amino]phenoxy]ethyl]piperazine-1-carboxylate;4-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]-N-[3-(2-methylsulfonylethyl)phenyl]pyrimidin-2-amine;4-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]-N-[4-(methylsulfonylmethyl)phenyl]pyrimidin-2-amine;4-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]-N-[3-(oxan-4-yloxy)phenyl]pyrimidin-2-amine;1-[3-[[4-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]pyrimidin-2-yl]amino]phenyl]pentan-1-one is sourced from PubChem (CID 161397962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).