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

C146H146F6N26O8S — CID 159284348

IUPAC2-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
SMILESCC1=Cc2c(ccc(Nc3ccnc(Nc4cccc(CCC(=O)N(C)C)c4)n3)c2F)C1.CC1=Cc2c(ccc(Nc3ccnc(Nc4cccc(CCS(C)(=O)=O)c4)n3)c2F)C1.CC1=Cc2c(ccc(Nc3ccnc(Nc4cccc(OCC5CCOCC5)c4)n3)c2F)C1.CC1=Cc2c(ccc(Nc3ccnc(Nc4cccc(OCCN)c4)n3)c2F)C1.CCC(=O)/C=C/c1cccc(Nc2nccc(Nc3ccc4c(c3F)C=C(C)C4)n2)c1.CCCCC(=O)c1cccc(Nc2nccc(Nc3ccc4c(c3F)C=C(C)C4)n2)c1
InChIInChI=1S/C26H27FN4O2.C25H26FN5O.C25H23FN4O.C25H25FN4O.C23H23FN4O2S.C22H22FN5O/c1-17-13-19-5-6-23(25(27)22(19)14-17)30-24-7-10-28-26(31-24)29-20-3-2-4-21(15-20)33-16-18-8-11-32-12-9-18;1-16-13-18-8-9-21(24(26)20(18)14-16)29-22-11-12-27-25(30-22)28-19-6-4-5-17(15-19)7-10-23(32)31(2)3;1-3-20(31)9-7-17-5-4-6-19(15-17)28-25-27-12-11-23(30-25)29-22-10-8-18-13-16(2)14-21(18)24(22)26;1-3-4-8-22(31)18-6-5-7-19(15-18)28-25-27-12-11-23(30-25)29-21-10-9-17-13-16(2)14-20(17)24(21)26;1-15-12-17-6-7-20(22(24)19(17)13-15)27-21-8-10-25-23(28-21)26-18-5-3-4-16(14-18)9-11-31(2,29)30;1-14-11-15-5-6-19(21(23)18(15)12-14)27-20-7-9-25-22(28-20)26-16-3-2-4-17(13-16)29-10-8-24/h2-7,10,14-15,18H,8-9,11-13,16H2,1H3,(H2,28,29,30,31);4-6,8-9,11-12,14-15H,7,10,13H2,1-3H3,(H2,27,28,29,30);4-12,14-15H,3,13H2,1-2H3,(H2,27,28,29,30);5-7,9-12,14-15H,3-4,8,13H2,1-2H3,(H2,27,28,29,30);3-8,10,13-14H,9,11-12H2,1-2H3,(H2,25,26,27,28);2-7,9,12-13H,8,10-11,24H2,1H3,(H2,25,26,27,28)/b;;9-7+;;;
InChIKeyKZHXJDACWATYEW-MNCVDFCKSA-N
MW2539.00 g/mol
LogP32.49
Rot. Bonds43

About 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

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 (PubChem CID 159284348) has the molecular formula C146H146F6N26O8S and a molecular weight of 2539.00 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name2-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
PubChem CID159284348
Molecular FormulaC146H146F6N26O8S
Molecular Weight2539.00 g/mol
Exact Mass2537.14
IUPAC Name2-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
SMILESCC1=Cc2c(ccc(Nc3ccnc(Nc4cccc(CCC(=O)N(C)C)c4)n3)c2F)C1.CC1=Cc2c(ccc(Nc3ccnc(Nc4cccc(CCS(C)(=O)=O)c4)n3)c2F)C1.CC1=Cc2c(ccc(Nc3ccnc(Nc4cccc(OCC5CCOCC5)c4)n3)c2F)C1.CC1=Cc2c(ccc(Nc3ccnc(Nc4cccc(OCCN)c4)n3)c2F)C1.CCC(=O)/C=C/c1cccc(Nc2nccc(Nc3ccc4c(c3F)C=C(C)C4)n2)c1.CCCCC(=O)c1cccc(Nc2nccc(Nc3ccc4c(c3F)C=C(C)C4)n2)c1
InChIInChI=1S/C26H27FN4O2.C25H26FN5O.C25H23FN4O.C25H25FN4O.C23H23FN4O2S.C22H22FN5O/c1-17-13-19-5-6-23(25(27)22(19)14-17)30-24-7-10-28-26(31-24)29-20-3-2-4-21(15-20)33-16-18-8-11-32-12-9-18;1-16-13-18-8-9-21(24(26)20(18)14-16)29-22-11-12-27-25(30-22)28-19-6-4-5-17(15-19)7-10-23(32)31(2)3;1-3-20(31)9-7-17-5-4-6-19(15-17)28-25-27-12-11-23(30-25)29-22-10-8-18-13-16(2)14-21(18)24(22)26;1-3-4-8-22(31)18-6-5-7-19(15-18)28-25-27-12-11-23(30-25)29-21-10-9-17-13-16(2)14-20(17)24(21)26;1-15-12-17-6-7-20(22(24)19(17)13-15)27-21-8-10-25-23(28-21)26-18-5-3-4-16(14-18)9-11-31(2,29)30;1-14-11-15-5-6-19(21(23)18(15)12-14)27-20-7-9-25-22(28-20)26-16-3-2-4-17(13-16)29-10-8-24/h2-7,10,14-15,18H,8-9,11-13,16H2,1H3,(H2,28,29,30,31);4-6,8-9,11-12,14-15H,7,10,13H2,1-3H3,(H2,27,28,29,30);4-12,14-15H,3,13H2,1-2H3,(H2,27,28,29,30);5-7,9-12,14-15H,3-4,8,13H2,1-2H3,(H2,27,28,29,30);3-8,10,13-14H,9,11-12H2,1-2H3,(H2,25,26,27,28);2-7,9,12-13H,8,10-11,24H2,1H3,(H2,25,26,27,28)/b;;9-7+;;;
InChIKeyKZHXJDACWATYEW-MNCVDFCKSA-N
XLogP32.49
TPSA441.34 Ų
H-Bond Donors13
H-Bond Acceptors33
Rotatable Bonds43
Heavy Atoms187
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002539.00
LogP ≤ 532.49
H-Bond Donors ≤ 513
H-Bond Acceptors ≤ 1033

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze 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 with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[4-[(2-anilino-5-fluoropyrimidin-4-yl)amino]phenyl]-3-methylbut-2-en-1-one;5-[3-[(2-anilino-5-methylpyrimidin-4-yl)amino]phenyl]pent-1-en-3-one;1-[3-[[2-[3-[2-(dimethylamino)ethoxy]anilino]-5-fluoropyrimidin-4-yl]amino]phenyl]-3-methylbut-2-en-1-one;N-[3-[[5-fluoro-2-[3-(3-imidazol-1-ylpropoxy)anilino]pyrimidin-4-yl]amino]phenyl]prop-2-enamide;1-[3-[[5-fluoro-2-[3-(trifluoromethoxy)anilino]pyrimidin-4-yl]amino]phenyl]-2-methylprop-2-en-1-one
CID 157260814
[4-[(2-anilino-5-methylpyrimidin-4-yl)amino]phenyl]methyl (E)-but-2-enoate;N-[[4-[(2-anilino-5-methylpyrimidin-4-yl)amino]phenyl]methyl]prop-2-enamide;N-[3-[[2-[4-chloro-3-(3-methylsulfonylpropoxy)anilino]-5-fluoropyrimidin-4-yl]amino]phenyl]prop-2-enamide;1-[3-[[2-[3-[2-(dimethylamino)ethoxy]anilino]-5-methylpyrimidin-4-yl]amino]phenyl]-3-methylbut-2-en-1-one;N-[3-[[2-[3-[2-(dimethylamino)ethoxy]anilino]-5-methylpyrimidin-4-yl]amino]phenyl]prop-2-enamide;3-methyl-1-[3-[[5-methyl-2-(3-prop-2-ynoxyanilino)pyrimidin-4-yl]amino]phenyl]but-2-en-1-one;3-methyl-1-[3-[[5-methyl-2-[3-(trifluoromethoxy)anilino]pyrimidin-4-yl]amino]phenyl]but-2-en-1-one;N-[3-[[5-methyl-2-[3-(trifluoromethoxy)anilino]pyrimidin-4-yl]amino]phenyl]prop-2-enamide
CID 157382202
N-[3-[[4-[(4-fluoro-2-methyl-1H-inden-5-yl)amino]pyrimidin-2-yl]amino]phenyl]methanesulfonamide;1-[3-[[4-[(4-fluoro-2-methyl-1H-inden-5-yl)amino]pyrimidin-2-yl]amino]phenyl]propan-1-one;4-N-(4-fluoro-2-methyl-1H-inden-5-yl)-2-N-[3-(piperidin-4-ylmethoxy)phenyl]pyrimidine-2,4-diamine;[1-[[3-[[4-[(4-fluoro-2-methyl-1H-indol-5-yl)methyl]pyrimidin-2-yl]methyl]phenyl]methyl]piperidin-4-yl]methanol;(E)-3-[3-[[4-[(4-fluoro-2-methyl-1H-indol-5-yl)methyl]pyrimidin-2-yl]methyl]phenyl]-1-morpholin-4-ylprop-2-en-1-one;1,1,1-trifluoro-N-[4-[[4-[(4-fluoro-2-methyl-1H-indol-5-yl)methyl]pyrimidin-2-yl]methyl]phenyl]methanesulfonamide
CID 158182040
4-N-(4-fluoro-2-methoxyphenyl)-2-N-(2-methoxy-4-piperidin-1-ylphenyl)-5-methylpyridine-2,4-diamine;methane;1-[3-[[2-(2-methoxy-4-piperidin-1-ylanilino)-5-methyl-4-pyridinyl]amino]phenyl]propan-1-one;2-N-(2-methoxy-4-piperidin-1-ylphenyl)-5-methyl-4-N-(2-phenylpropan-2-yl)pyridine-2,4-diamine;N-methyl-N-[3-[[[5-methyl-2-[(2-methylidene-3H-1-benzofuran-6-yl)amino]-4-pyridinyl]amino]methyl]-2-pyridinyl]methanesulfonamide;N-methyl-2-[[2-[4-(2-oxopropyl)anilino]-5-(trifluoromethyl)-4-pyridinyl]amino]benzamide
CID 158282576
N,N-dimethyl-2-[6-[[5-methyl-4-(pyridin-2-ylamino)-2-pyridinyl]amino]-3H-inden-1-yl]prop-2-enamide;2-[[2-(2-methoxy-4-piperidin-1-ylanilino)-5-(trifluoromethyl)-4-pyridinyl]amino]-N-propan-2-ylbenzenesulfonamide;N-methyl-2-[[2-[(2-methyl-6-pyridin-3-ylpyrimidin-4-yl)amino]-5-(trifluoromethyl)-4-pyridinyl]amino]benzenesulfonamide;2-[[2-[(2-methyl-6-pyridin-3-ylpyrimidin-4-yl)amino]-5-(trifluoromethyl)-4-pyridinyl]amino]-N-propan-2-ylbenzenesulfonamide;4-N-pyridin-2-yl-2-N-[3-(1,2,3,6-tetrahydropyridin-4-yl)-1H-inden-5-yl]-5-(trifluoromethyl)pyridine-2,4-diamine
CID 158821844
1-[4-[(2-anilino-5-fluoropyrimidin-4-yl)amino]phenyl]-3-methylbut-2-en-1-one;N-[[3-[(2-anilino-5-methylpyrimidin-4-yl)amino]phenyl]methyl]-N-methylprop-2-enamide;N-[[4-[(2-anilino-5-methylpyrimidin-4-yl)amino]phenyl]methyl]-N-methylprop-2-enamide;1-[3-[[2-[3-[2-(dimethylamino)ethoxy]anilino]-5-fluoropyrimidin-4-yl]amino]phenyl]-3-methylbut-2-en-1-one;N-[3-[[5-fluoro-2-[3-(3-morpholin-4-ylpropoxy)anilino]pyrimidin-4-yl]amino]phenyl]prop-2-enamide;1-[3-[[5-fluoro-2-(3-prop-2-ynoxyanilino)pyrimidin-4-yl]amino]phenyl]-3-methylbut-2-en-1-one;1-[3-[[5-fluoro-2-[3-(trifluoromethoxy)anilino]pyrimidin-4-yl]amino]phenyl]-3-methylbut-2-en-1-one;1-[3-[[2-(3-methoxyanilino)-5-(trifluoromethyl)pyrimidin-4-yl]amino]phenyl]-3-methylbut-2-en-1-one
CID 158952212
2-[[2-[[3-[3-(dimethylamino)-3-oxoprop-1-en-2-yl]-1H-inden-5-yl]amino]-5-methyl-4-pyridinyl]amino]-N-methylbenzamide;4-N-(4-fluoro-2-methoxyphenyl)-2-N-(2-methoxy-4-piperidin-1-ylphenyl)-5-methylpyridine-2,4-diamine;1-[3-[[2-(2-methoxy-4-piperidin-1-ylanilino)-5-methyl-4-pyridinyl]amino]phenyl]propan-1-one;N-methyl-N-[3-[[[5-methyl-2-[(2-methylidene-3H-1-benzofuran-6-yl)amino]-4-pyridinyl]amino]methyl]-2-pyridinyl]methanesulfonamide;N-methyl-2-[[2-[4-(2-oxopropyl)anilino]-5-(trifluoromethyl)-4-pyridinyl]amino]benzamide
CID 159459986
1-[4-[(2-anilino-5-fluoropyrimidin-4-yl)amino]piperidin-1-yl]prop-2-en-1-one;2-anilino-N-[(4-methoxyphenyl)methyl]-4-[3-(prop-2-enoylamino)anilino]pyrimidine-5-carboxamide;1-[3-[(2-anilino-5-methylpyrimidin-4-yl)amino]phenyl]-3-methylbut-2-en-1-one;2-anilino-4-[3-(prop-2-enoylamino)anilino]pyrimidine-5-carboxamide;N-[3-[[2-[3-[2-(dimethylamino)ethoxy]anilino]-5-fluoropyrimidin-4-yl]amino]phenyl]prop-2-enamide;N-[3-[[5-fluoro-2-(pyridin-3-ylamino)pyrimidin-4-yl]amino]phenyl]prop-2-enamide;1-[4-[[2-(3-methoxyanilino)-5-(trifluoromethyl)pyrimidin-4-yl]amino]phenyl]but-3-en-2-one;N-[[4-[[2-(3-methoxyanilino)-5-(trifluoromethyl)pyrimidin-4-yl]amino]phenyl]methyl]prop-2-enamide
CID 160219679
1-[3-[(2-anilino-5-methylpyrimidin-4-yl)amino]phenyl]-3-methylbut-2-en-1-one;N-[3-[[2-[3-[2-(dimethylamino)ethoxy]anilino]-5-fluoropyrimidin-4-yl]amino]phenyl]prop-2-enamide;N-[3-[[5-fluoro-2-(pyridin-3-ylamino)pyrimidin-4-yl]amino]phenyl]prop-2-enamide;N-[[4-[[2-(3-methoxyanilino)-5-(trifluoromethyl)pyrimidin-4-yl]amino]phenyl]methyl]prop-2-enamide
CID 160406045
[4-[(2-anilino-5-methylpyrimidin-4-yl)amino]phenyl]methyl (E)-but-2-enoate;N-[3-[[2-[3-[2-(dimethylamino)ethoxy]anilino]-5-methylpyrimidin-4-yl]amino]phenyl]prop-2-enamide;3-methyl-1-[3-[[5-methyl-2-[3-(trifluoromethoxy)anilino]pyrimidin-4-yl]amino]phenyl]but-2-en-1-one;N-[3-[[5-methyl-2-[3-(trifluoromethoxy)anilino]pyrimidin-4-yl]amino]phenyl]prop-2-enamide
CID 160574724
1-[4-[(2-anilino-5-fluoropyrimidin-4-yl)amino]piperidin-1-yl]prop-2-en-1-one;N-[3-[[5-fluoro-2-[3-(3-morpholin-4-ylpropoxy)anilino]pyrimidin-4-yl]amino]phenyl]prop-2-enamide;1-[3-[[5-fluoro-2-(3-prop-2-ynoxyanilino)pyrimidin-4-yl]amino]phenyl]-3-methylbut-2-en-1-one;1-[3-[[5-fluoro-2-[3-(trifluoromethoxy)anilino]pyrimidin-4-yl]amino]phenyl]-3-methylbut-2-en-1-one
CID 161133866
1-[3-[(2-anilino-5-methylpyrimidin-4-yl)amino]phenyl]-3-methylbut-2-en-1-one;N-[3-[[2-[3-[2-(dimethylamino)ethoxy]anilino]-5-fluoropyrimidin-4-yl]amino]phenyl]prop-2-enamide;1-[4-[[2-(3-methoxyanilino)-5-(trifluoromethyl)pyrimidin-4-yl]amino]phenyl]but-3-en-2-one;N-[[4-[[2-(3-methoxyanilino)-5-(trifluoromethyl)pyrimidin-4-yl]amino]phenyl]methyl]prop-2-enamide
CID 161470804

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC1=Cc2c(ccc(Nc3ccnc(Nc4cccc(CCC(=O)N(C)C)c4)n3)c2F)C1.CC1=Cc2c(ccc(Nc3ccnc(Nc4cccc(CCS(C)(=O)=O)c4)n3)c2F)C1.CC1=Cc2c(ccc(Nc3ccnc(Nc4cccc(OCC5CCOCC5)c4)n3)c2F)C1.CC1=Cc2c(ccc(Nc3ccnc(Nc4cccc(OCCN)c4)n3)c2F)C1.CCC(=O)/C=C/c1cccc(Nc2nccc(Nc3ccc4c(c3F)C=C(C)C4)n2)c1.CCCCC(=O)c1cccc(Nc2nccc(Nc3ccc4c(c3F)C=C(C)C4)n2)c1.
What is the InChIKey of 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?
The InChIKey is KZHXJDACWATYEW-MNCVDFCKSA-N. The full InChI is InChI=1S/C26H27FN4O2.C25H26FN5O.C25H23FN4O.C25H25FN4O.C23H23FN4O2S.C22H22FN5O/c1-17-13-19-5-6-23(25(27)22(19)14-17)30-24-7-10-28-26(31-24)29-20-3-2-4-21(15-20)33-16-18-8-11-32-12-9-18;1-16-13-18-8-9-21(24(26)20(18)14-16)29-22-11-12-27-25(30-22)28-19-6-4-5-17(15-19)7-10-23(32)31(2)3;1-3-20(31)9-7-17-5-4-6-19(15-17)28-25-27-12-11-23(30-25)29-22-10-8-18-13-16(2)14-21(18)24(22)26;1-3-4-8-22(31)18-6-5-7-19(15-18)28-25-27-12-11-23(30-25)29-21-10-9-17-13-16(2)14-20(17)24(21)26;1-15-12-17-6-7-20(22(24)19(17)13-15)27-21-8-10-25-23(28-21)26-18-5-3-4-16(14-18)9-11-31(2,29)30;1-14-11-15-5-6-19(21(23)18(15)12-14)27-20-7-9-25-22(28-20)26-16-3-2-4-17(13-16)29-10-8-24/h2-7,10,14-15,18H,8-9,11-13,16H2,1H3,(H2,28,29,30,31);4-6,8-9,11-12,14-15H,7,10,13H2,1-3H3,(H2,27,28,29,30);4-12,14-15H,3,13H2,1-2H3,(H2,27,28,29,30);5-7,9-12,14-15H,3-4,8,13H2,1-2H3,(H2,27,28,29,30);3-8,10,13-14H,9,11-12H2,1-2H3,(H2,25,26,27,28);2-7,9,12-13H,8,10-11,24H2,1H3,(H2,25,26,27,28)/b;;9-7+;;;.
What are the key properties of 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?
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 has a molecular weight of 2539.00 g/mol, XLogP of 32.49, 43 rotatable bonds, 13 hydrogen bond donors, and 33 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 159284348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).