(2R)-2-amino-N-[4-[2-[4-[4-[2-(dimethylamino)acetyl]piperazin-1-yl]anilino]pyrimidin-4-yl]phenyl]propanamide;1-[4-[2-[4-[4-[(2R)-2-aminopropanoyl]piperazin-1-yl]anilino]pyrimidin-4-yl]phenyl]-3-ethylurea;2-(dimethylamino)-N-[4-[2-[4-[4-[2-(dimethylamino)acetyl]piperazin-1-yl]anilino]pyrimidin-4-yl]phenyl]acetamide;(2R)-N-[4-[2-[4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]anilino]pyrimidin-4-yl]phenyl]pyrrolidine-2-carboxamide;1-ethyl-3-[4-[2-[4-[4-(2-piperazin-1-ylacetyl)piperazin-1-yl]anilino]pyrimidin-4-yl]phenyl]urea;1-ethyl-3-[4-[2-[4-[4-[(2R)-pyrrolidine-2-carbonyl]piperazin-1-yl]anilino]pyrimidin-4-yl]phenyl]urea;(2R)-N-[4-[2-[4-[4-(3-hydroxypropanoyl)piperazin-1-yl]anilino]pyrimidin-4-yl]phenyl]pyrrolidine-2-carboxamide;3,3,3-trifluoro-2-methyl-N-[4-[2-(4-morpholin-4-ylanilino)pyrimidin-4-yl]phenyl]propanamide

C217H262F3N59O17 — CID 158165007

IUPAC(2R)-2-amino-N-[4-[2-[4-[4-[2-(dimethylamino)acetyl]piperazin-1-yl]anilino]pyrimidin-4-yl]phenyl]propanamide;1-[4-[2-[4-[4-[(2R)-2-aminopropanoyl]piperazin-1-yl]anilino]pyrimidin-4-yl]phenyl]-3-ethylurea;2-(dimethylamino)-N-[4-[2-[4-[4-[2-(dimethylamino)acetyl]piperazin-1-yl]anilino]pyrimidin-4-yl]phenyl]acetamide;(2R)-N-[4-[2-[4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]anilino]pyrimidin-4-yl]phenyl]pyrrolidine-2-carboxamide;1-ethyl-3-[4-[2-[4-[4-(2-piperazin-1-ylacetyl)piperazin-1-yl]anilino]pyrimidin-4-yl]phenyl]urea;1-ethyl-3-[4-[2-[4-[4-[(2R)-pyrrolidine-2-carbonyl]piperazin-1-yl]anilino]pyrimidin-4-yl]phenyl]urea;(2R)-N-[4-[2-[4-[4-(3-hydroxypropanoyl)piperazin-1-yl]anilino]pyrimidin-4-yl]phenyl]pyrrolidine-2-carboxamide;3,3,3-trifluoro-2-methyl-N-[4-[2-(4-morpholin-4-ylanilino)pyrimidin-4-yl]phenyl]propanamide
SMILESCC(C(=O)Nc1ccc(-c2ccnc(Nc3ccc(N4CCOCC4)cc3)n2)cc1)C(F)(F)F.CCNC(=O)Nc1ccc(-c2ccnc(Nc3ccc(N4CCN(C(=O)CN5CCNCC5)CC4)cc3)n2)cc1.CCNC(=O)Nc1ccc(-c2ccnc(Nc3ccc(N4CCN(C(=O)[C@@H](C)N)CC4)cc3)n2)cc1.CCNC(=O)Nc1ccc(-c2ccnc(Nc3ccc(N4CCN(C(=O)[C@H]5CCCN5)CC4)cc3)n2)cc1.CN(C)CC(=O)Nc1ccc(-c2ccnc(Nc3ccc(N4CCN(C(=O)CN(C)C)CC4)cc3)n2)cc1.C[C@@H](N)C(=O)Nc1ccc(-c2ccnc(Nc3ccc(N4CCN(C(=O)CN(C)C)CC4)cc3)n2)cc1.C[C@@H]1CN(c2ccc(Nc3nccc(-c4ccc(NC(=O)[C@H]5CCCN5)cc4)n3)cc2)C[C@H](C)O1.O=C(Nc1ccc(-c2ccnc(Nc3ccc(N4CCN(C(=O)CCO)CC4)cc3)n2)cc1)[C@H]1CCCN1
InChIInChI=1S/C29H37N9O2.C28H34N8O2.C28H36N8O2.C28H33N7O3.C27H34N8O2.C27H32N6O2.C26H32N8O2.C24H24F3N5O2/c1-2-31-29(40)34-24-5-3-22(4-6-24)26-11-12-32-28(35-26)33-23-7-9-25(10-8-23)37-17-19-38(20-18-37)27(39)21-36-15-13-30-14-16-36;1-2-29-28(38)33-22-7-5-20(6-8-22)24-13-15-31-27(34-24)32-21-9-11-23(12-10-21)35-16-18-36(19-17-35)26(37)25-4-3-14-30-25;1-33(2)19-26(37)30-22-7-5-21(6-8-22)25-13-14-29-28(32-25)31-23-9-11-24(12-10-23)35-15-17-36(18-16-35)27(38)20-34(3)4;36-19-12-26(37)35-17-15-34(16-18-35)23-9-7-22(8-10-23)32-28-30-14-11-24(33-28)20-3-5-21(6-4-20)31-27(38)25-2-1-13-29-25;1-19(28)26(37)30-21-6-4-20(5-7-21)24-12-13-29-27(32-24)31-22-8-10-23(11-9-22)34-14-16-35(17-15-34)25(36)18-33(2)3;1-18-16-33(17-19(2)35-18)23-11-9-22(10-12-23)31-27-29-15-13-24(32-27)20-5-7-21(8-6-20)30-26(34)25-4-3-14-28-25;1-3-28-26(36)31-21-6-4-19(5-7-21)23-12-13-29-25(32-23)30-20-8-10-22(11-9-20)33-14-16-34(17-15-33)24(35)18(2)27;1-16(24(25,26)27)22(33)29-18-4-2-17(3-5-18)21-10-11-28-23(31-21)30-19-6-8-20(9-7-19)32-12-14-34-15-13-32/h3-12,30H,2,13-21H2,1H3,(H2,31,34,40)(H,32,33,35);5-13,15,25,30H,2-4,14,16-19H2,1H3,(H2,29,33,38)(H,31,32,34);5-14H,15-20H2,1-4H3,(H,30,37)(H,29,31,32);3-11,14,25,29,36H,1-2,12-13,15-19H2,(H,31,38)(H,30,32,33);4-13,19H,14-18,28H2,1-3H3,(H,30,37)(H,29,31,32);5-13,15,18-19,25,28H,3-4,14,16-17H2,1-2H3,(H,30,34)(H,29,31,32);4-13,18H,3,14-17,27H2,1-2H3,(H2,28,31,36)(H,29,30,32);2-11,16H,12-15H2,1H3,(H,29,33)(H,28,30,31)/t;25-;;25-;19-;18-,19+,25-;18-;/m.1.1111./s1
InChIKeyFWSRZYDNZLQXOZ-DKTPNSSPSA-N
MW4025.87 g/mol
LogP25.68
Rot. Bonds59

About (2R)-2-amino-N-[4-[2-[4-[4-[2-(dimethylamino)acetyl]piperazin-1-yl]anilino]pyrimidin-4-yl]phenyl]propanamide;1-[4-[2-[4-[4-[(2R)-2-aminopropanoyl]piperazin-1-yl]anilino]pyrimidin-4-yl]phenyl]-3-ethylurea;2-(dimethylamino)-N-[4-[2-[4-[4-[2-(dimethylamino)acetyl]piperazin-1-yl]anilino]pyrimidin-4-yl]phenyl]acetamide;(2R)-N-[4-[2-[4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]anilino]pyrimidin-4-yl]phenyl]pyrrolidine-2-carboxamide;1-ethyl-3-[4-[2-[4-[4-(2-piperazin-1-ylacetyl)piperazin-1-yl]anilino]pyrimidin-4-yl]phenyl]urea;1-ethyl-3-[4-[2-[4-[4-[(2R)-pyrrolidine-2-carbonyl]piperazin-1-yl]anilino]pyrimidin-4-yl]phenyl]urea;(2R)-N-[4-[2-[4-[4-(3-hydroxypropanoyl)piperazin-1-yl]anilino]pyrimidin-4-yl]phenyl]pyrrolidine-2-carboxamide;3,3,3-trifluoro-2-methyl-N-[4-[2-(4-morpholin-4-ylanilino)pyrimidin-4-yl]phenyl]propanamide

(2R)-2-amino-N-[4-[2-[4-[4-[2-(dimethylamino)acetyl]piperazin-1-yl]anilino]pyrimidin-4-yl]phenyl]propanamide;1-[4-[2-[4-[4-[(2R)-2-aminopropanoyl]piperazin-1-yl]anilino]pyrimidin-4-yl]phenyl]-3-ethylurea;2-(dimethylamino)-N-[4-[2-[4-[4-[2-(dimethylamino)acetyl]piperazin-1-yl]anilino]pyrimidin-4-yl]phenyl]acetamide;(2R)-N-[4-[2-[4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]anilino]pyrimidin-4-yl]phenyl]pyrrolidine-2-carboxamide;1-ethyl-3-[4-[2-[4-[4-(2-piperazin-1-ylacetyl)piperazin-1-yl]anilino]pyrimidin-4-yl]phenyl]urea;1-ethyl-3-[4-[2-[4-[4-[(2R)-pyrrolidine-2-carbonyl]piperazin-1-yl]anilino]pyrimidin-4-yl]phenyl]urea;(2R)-N-[4-[2-[4-[4-(3-hydroxypropanoyl)piperazin-1-yl]anilino]pyrimidin-4-yl]phenyl]pyrrolidine-2-carboxamide;3,3,3-trifluoro-2-methyl-N-[4-[2-(4-morpholin-4-ylanilino)pyrimidin-4-yl]phenyl]propanamide (PubChem CID 158165007) has the molecular formula C217H262F3N59O17 and a molecular weight of 4025.87 g/mol. Its IUPAC name is (2R)-2-amino-N-[4-[2-[4-[4-[2-(dimethylamino)acetyl]piperazin-1-yl]anilino]pyrimidin-4-yl]phenyl]propanamide;1-[4-[2-[4-[4-[(2R)-2-aminopropanoyl]piperazin-1-yl]anilino]pyrimidin-4-yl]phenyl]-3-ethylurea;2-(dimethylamino)-N-[4-[2-[4-[4-[2-(dimethylamino)acetyl]piperazin-1-yl]anilino]pyrimidin-4-yl]phenyl]acetamide;(2R)-N-[4-[2-[4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]anilino]pyrimidin-4-yl]phenyl]pyrrolidine-2-carboxamide;1-ethyl-3-[4-[2-[4-[4-(2-piperazin-1-ylacetyl)piperazin-1-yl]anilino]pyrimidin-4-yl]phenyl]urea;1-ethyl-3-[4-[2-[4-[4-[(2R)-pyrrolidine-2-carbonyl]piperazin-1-yl]anilino]pyrimidin-4-yl]phenyl]urea;(2R)-N-[4-[2-[4-[4-(3-hydroxypropanoyl)piperazin-1-yl]anilino]pyrimidin-4-yl]phenyl]pyrrolidine-2-carboxamide;3,3,3-trifluoro-2-methyl-N-[4-[2-(4-morpholin-4-ylanilino)pyrimidin-4-yl]phenyl]propanamide.

Molecular Properties

Compound Name(2R)-2-amino-N-[4-[2-[4-[4-[2-(dimethylamino)acetyl]piperazin-1-yl]anilino]pyrimidin-4-yl]phenyl]propanamide;1-[4-[2-[4-[4-[(2R)-2-aminopropanoyl]piperazin-1-yl]anilino]pyrimidin-4-yl]phenyl]-3-ethylurea;2-(dimethylamino)-N-[4-[2-[4-[4-[2-(dimethylamino)acetyl]piperazin-1-yl]anilino]pyrimidin-4-yl]phenyl]acetamide;(2R)-N-[4-[2-[4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]anilino]pyrimidin-4-yl]phenyl]pyrrolidine-2-carboxamide;1-ethyl-3-[4-[2-[4-[4-(2-piperazin-1-ylacetyl)piperazin-1-yl]anilino]pyrimidin-4-yl]phenyl]urea;1-ethyl-3-[4-[2-[4-[4-[(2R)-pyrrolidine-2-carbonyl]piperazin-1-yl]anilino]pyrimidin-4-yl]phenyl]urea;(2R)-N-[4-[2-[4-[4-(3-hydroxypropanoyl)piperazin-1-yl]anilino]pyrimidin-4-yl]phenyl]pyrrolidine-2-carboxamide;3,3,3-trifluoro-2-methyl-N-[4-[2-(4-morpholin-4-ylanilino)pyrimidin-4-yl]phenyl]propanamide
PubChem CID158165007
Molecular FormulaC217H262F3N59O17
Molecular Weight4025.87 g/mol
Exact Mass4023.14
IUPAC Name(2R)-2-amino-N-[4-[2-[4-[4-[2-(dimethylamino)acetyl]piperazin-1-yl]anilino]pyrimidin-4-yl]phenyl]propanamide;1-[4-[2-[4-[4-[(2R)-2-aminopropanoyl]piperazin-1-yl]anilino]pyrimidin-4-yl]phenyl]-3-ethylurea;2-(dimethylamino)-N-[4-[2-[4-[4-[2-(dimethylamino)acetyl]piperazin-1-yl]anilino]pyrimidin-4-yl]phenyl]acetamide;(2R)-N-[4-[2-[4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]anilino]pyrimidin-4-yl]phenyl]pyrrolidine-2-carboxamide;1-ethyl-3-[4-[2-[4-[4-(2-piperazin-1-ylacetyl)piperazin-1-yl]anilino]pyrimidin-4-yl]phenyl]urea;1-ethyl-3-[4-[2-[4-[4-[(2R)-pyrrolidine-2-carbonyl]piperazin-1-yl]anilino]pyrimidin-4-yl]phenyl]urea;(2R)-N-[4-[2-[4-[4-(3-hydroxypropanoyl)piperazin-1-yl]anilino]pyrimidin-4-yl]phenyl]pyrrolidine-2-carboxamide;3,3,3-trifluoro-2-methyl-N-[4-[2-(4-morpholin-4-ylanilino)pyrimidin-4-yl]phenyl]propanamide
SMILESCC(C(=O)Nc1ccc(-c2ccnc(Nc3ccc(N4CCOCC4)cc3)n2)cc1)C(F)(F)F.CCNC(=O)Nc1ccc(-c2ccnc(Nc3ccc(N4CCN(C(=O)CN5CCNCC5)CC4)cc3)n2)cc1.CCNC(=O)Nc1ccc(-c2ccnc(Nc3ccc(N4CCN(C(=O)[C@@H](C)N)CC4)cc3)n2)cc1.CCNC(=O)Nc1ccc(-c2ccnc(Nc3ccc(N4CCN(C(=O)[C@H]5CCCN5)CC4)cc3)n2)cc1.CN(C)CC(=O)Nc1ccc(-c2ccnc(Nc3ccc(N4CCN(C(=O)CN(C)C)CC4)cc3)n2)cc1.C[C@@H](N)C(=O)Nc1ccc(-c2ccnc(Nc3ccc(N4CCN(C(=O)CN(C)C)CC4)cc3)n2)cc1.C[C@@H]1CN(c2ccc(Nc3nccc(-c4ccc(NC(=O)[C@H]5CCCN5)cc4)n3)cc2)C[C@H](C)O1.O=C(Nc1ccc(-c2ccnc(Nc3ccc(N4CCN(C(=O)CCO)CC4)cc3)n2)cc1)[C@H]1CCCN1
InChIInChI=1S/C29H37N9O2.C28H34N8O2.C28H36N8O2.C28H33N7O3.C27H34N8O2.C27H32N6O2.C26H32N8O2.C24H24F3N5O2/c1-2-31-29(40)34-24-5-3-22(4-6-24)26-11-12-32-28(35-26)33-23-7-9-25(10-8-23)37-17-19-38(20-18-37)27(39)21-36-15-13-30-14-16-36;1-2-29-28(38)33-22-7-5-20(6-8-22)24-13-15-31-27(34-24)32-21-9-11-23(12-10-21)35-16-18-36(19-17-35)26(37)25-4-3-14-30-25;1-33(2)19-26(37)30-22-7-5-21(6-8-22)25-13-14-29-28(32-25)31-23-9-11-24(12-10-23)35-15-17-36(18-16-35)27(38)20-34(3)4;36-19-12-26(37)35-17-15-34(16-18-35)23-9-7-22(8-10-23)32-28-30-14-11-24(33-28)20-3-5-21(6-4-20)31-27(38)25-2-1-13-29-25;1-19(28)26(37)30-21-6-4-20(5-7-21)24-12-13-29-27(32-24)31-22-8-10-23(11-9-22)34-14-16-35(17-15-34)25(36)18-33(2)3;1-18-16-33(17-19(2)35-18)23-11-9-22(10-12-23)31-27-29-15-13-24(32-27)20-5-7-21(8-6-20)30-26(34)25-4-3-14-28-25;1-3-28-26(36)31-21-6-4-19(5-7-21)23-12-13-29-25(32-23)30-20-8-10-22(11-9-20)33-14-16-34(17-15-33)24(35)18(2)27;1-16(24(25,26)27)22(33)29-18-4-2-17(3-5-18)21-10-11-28-23(31-21)30-19-6-8-20(9-7-19)32-12-14-34-15-13-32/h3-12,30H,2,13-21H2,1H3,(H2,31,34,40)(H,32,33,35);5-13,15,25,30H,2-4,14,16-19H2,1H3,(H2,29,33,38)(H,31,32,34);5-14H,15-20H2,1-4H3,(H,30,37)(H,29,31,32);3-11,14,25,29,36H,1-2,12-13,15-19H2,(H,31,38)(H,30,32,33);4-13,19H,14-18,28H2,1-3H3,(H,30,37)(H,29,31,32);5-13,15,18-19,25,28H,3-4,14,16-17H2,1-2H3,(H,30,34)(H,29,31,32);4-13,18H,3,14-17,27H2,1-2H3,(H2,28,31,36)(H,29,30,32);2-11,16H,12-15H2,1H3,(H,29,33)(H,28,30,31)/t;25-;;25-;19-;18-,19+,25-;18-;/m.1.1111./s1
InChIKeyFWSRZYDNZLQXOZ-DKTPNSSPSA-N
XLogP25.68
TPSA870.96 Ų
H-Bond Donors26
H-Bond Acceptors59
Rotatable Bonds59
Heavy Atoms296
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5004025.87
LogP ≤ 525.68
H-Bond Donors ≤ 526
H-Bond Acceptors ≤ 1059

Analyze (2R)-2-amino-N-[4-[2-[4-[4-[2-(dimethylamino)acetyl]piperazin-1-yl]anilino]pyrimidin-4-yl]phenyl]propanamide;1-[4-[2-[4-[4-[(2R)-2-aminopropanoyl]piperazin-1-yl]anilino]pyrimidin-4-yl]phenyl]-3-ethylurea;2-(dimethylamino)-N-[4-[2-[4-[4-[2-(dimethylamino)acetyl]piperazin-1-yl]anilino]pyrimidin-4-yl]phenyl]acetamide;(2R)-N-[4-[2-[4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]anilino]pyrimidin-4-yl]phenyl]pyrrolidine-2-carboxamide;1-ethyl-3-[4-[2-[4-[4-(2-piperazin-1-ylacetyl)piperazin-1-yl]anilino]pyrimidin-4-yl]phenyl]urea;1-ethyl-3-[4-[2-[4-[4-[(2R)-pyrrolidine-2-carbonyl]piperazin-1-yl]anilino]pyrimidin-4-yl]phenyl]urea;(2R)-N-[4-[2-[4-[4-(3-hydroxypropanoyl)piperazin-1-yl]anilino]pyrimidin-4-yl]phenyl]pyrrolidine-2-carboxamide;3,3,3-trifluoro-2-methyl-N-[4-[2-(4-morpholin-4-ylanilino)pyrimidin-4-yl]phenyl]propanamide with MolForge

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Related Compounds

(2S)-3-[4-[1-[2-[2-[2,3-bis[2-[2-[3-[4-[(2S)-2-carboxy-2-[[2-(diethylamino)-5-(2,2,2-trifluoroethyl)pyrimidin-4-yl]amino]ethyl]phenyl]-2-oxoimidazo[4,5-b]pyridin-1-yl]ethoxy]ethoxy]propoxy]ethoxy]ethyl]-2-oxoimidazo[4,5-b]pyridin-3-yl]phenyl]-2-[[2-(diethylamino)-5-(2,2,2-trifluoroethyl)pyrimidin-4-yl]amino]propanoic acid
CID 58011180
(2R)-2-[[4-[1-[2-[2-[2,3-bis[2-[2-[3-[4-[(2S)-2-carboxy-2-[[2-(diethylamino)-5-ethylpyrimidin-4-yl]amino]ethyl]phenyl]-2-oxoimidazo[4,5-b]pyridin-1-yl]ethoxy]ethoxy]propoxy]ethoxy]ethyl]-2-oxoimidazo[4,5-b]pyridin-3-yl]phenyl]methyl]-3-[2-(diethylamino)-5-(2,2,2-trifluoroethyl)pyrimidin-4-yl]propanoic acid
CID 58090996
(2R)-2-[[4-[1-[2-[2-[2,3-bis[2-[2-[3-[4-[(2S)-2-[[2-(diethylamino)-5-ethylpyrimidin-4-yl]amino]-3-hydroperoxy-3-oxopropyl]phenyl]-2-oxoimidazo[4,5-b]pyridin-1-yl]ethoxy]ethoxy]propoxy]ethoxy]ethyl]-2-oxoimidazo[4,5-b]pyridin-3-yl]phenyl]methyl]-3-[2-(diethylamino)-5-(2,2,2-trifluoroethyl)pyrimidin-4-yl]propanoic acid
CID 58091050
(2S)-3-[4-[3-[2-[2,3-bis[2-[2-[3-[4-[(2S)-2-carboxy-2-[[2-(diethylamino)-5-(2,2,2-trifluoroethyl)pyrimidin-4-yl]amino]ethyl]phenyl]-2-oxoimidazo[4,5-b]pyridin-1-yl]ethoxy]ethoxy]propoxy]ethoxymethyl]-2-oxo-3H-pyrrolo[2,3-b]pyridin-1-yl]phenyl]-2-[[2-(diethylamino)-5-(2,2,2-trifluoroethyl)pyrimidin-4-yl]amino]propanoic acid
CID 58590019
(2S)-3-[4-[1-[2-[2-[2-[2-[2-[3-[4-[(2S)-2-carboxy-2-[[2-(diethylamino)-5-(2,2,2-trifluoroethyl)pyrimidin-4-yl]amino]ethyl]phenyl]-2-oxoimidazo[4,5-b]pyridin-1-yl]ethoxy]ethoxy]-3-[2-[2-[3-[4-[(2S)-2-carboxy-2-[[2-(diethylamino)-5-(trifluoromethylamino)pyrimidin-4-yl]amino]ethyl]phenyl]-2-oxoimidazo[4,5-b]pyridin-1-yl]ethoxy]ethoxy]propoxy]ethoxy]ethyl]-2-oxoimidazo[4,5-b]pyridin-3-yl]phenyl]-2-[[2-(diethylamino)-5-(2,2,2-trifluoroethyl)pyrimidin-4-yl]amino]propanoic acid
CID 59664526
(2S)-3-[4-[1-[2-[2-[2-[2-[2-[3-[4-[(2S)-2-carboxy-2-[[2-(diethylamino)-5-(2,2,2-trifluoroethyl)pyrimidin-4-yl]amino]ethyl]phenyl]-2-oxoimidazo[4,5-b]pyridin-1-yl]ethoxy]ethoxy]-3-[2-[2-[3-[4-[(2S)-2-carboxy-2-[[2-(diethylamino)-5-(trifluoromethylamino)pyrimidin-4-yl]amino]ethyl]phenyl]-2-oxoimidazo[4,5-b]pyridin-1-yl]ethoxy]ethoxy]propoxy]ethoxy]ethyl]-2-oxoimidazo[4,5-b]pyridin-3-yl]phenyl]-2-[[2-(diethylamino)-5-(2,2,2-trifluoroethyl)pyrimidin-4-yl]amino]propanoic acid;methane
CID 158579721
(2R)-2-[[4-[1-[2-[2-[2,3-bis[2-[2-[3-[4-[(2S)-2-carboxy-2-[[2-(diethylamino)-5-ethylpyrimidin-4-yl]amino]ethyl]phenyl]-2-oxoimidazo[4,5-b]pyridin-1-yl]ethoxy]ethoxy]propoxy]ethoxy]ethyl]-2-oxoimidazo[4,5-b]pyridin-3-yl]phenyl]methyl]-3-[2-(diethylamino)-5-(2,2,2-trifluoroethyl)pyrimidin-4-yl]propanoic acid;methane
CID 158842175
8-(dimethylamino)-3-[2-morpholin-4-yl-4-(trifluoromethyl)pyrimidin-5-yl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;5-[8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-N-(2-hydroxyethyl)pyrimidine-2-carboxamide;5-[8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]pyrimidine-2-carboxamide;4-[5-[8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]pyrimidin-2-yl]benzonitrile
CID 159428656
8-(dimethylamino)-3-[2-morpholin-4-yl-4-(trifluoromethyl)pyrimidin-5-yl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;5-[8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-N-(2-hydroxyethyl)pyrimidine-2-carboxamide;5-[8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]pyrimidine-2-carboxamide;8-(dimethylamino)-8-phenyl-3-(2-pyridin-3-ylpyrimidin-5-yl)-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-8-phenyl-3-(2-pyridin-4-ylpyrimidin-5-yl)-1,3-diazaspiro[4.5]decan-2-one
CID 160345454
1-[3-[[2-[2-cyclopentyl-4-(4-methylpiperazin-1-yl)anilino]-5-(trifluoromethyl)pyrimidin-4-yl]amino]propyl]piperidin-2-one;4-[3-[[2-[2-cyclopropyl-4-[(1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]anilino]-5-(trifluoromethyl)pyrimidin-4-yl]amino]propyl]-1,4-oxazepan-5-one;4-[3-[[2-[2-ethyl-4-(4-methyl-3-oxopiperazin-1-yl)anilino]-5-(trifluoromethyl)pyrimidin-4-yl]amino]propyl]-1,4-oxazepan-5-one;3-[3-[[2-[2-ethyl-4-(4-methyl-3-oxopiperazin-1-yl)anilino]-5-(trifluoromethyl)pyrimidin-4-yl]amino]propyl]-1,3-oxazinan-2-one
CID 167547873
(2S)-1-methyl-N-[4-[2-(4-morpholin-4-ylanilino)pyrimidin-4-yl]phenyl]pyrrolidine-2-carboxamide;N-[4-[2-[4-[4-(piperidine-4-carbonyl)piperazin-1-yl]anilino]pyrimidin-4-yl]phenyl]acetamide
CID 87696545
(2S)-1-methyl-1-[4-[2-(4-morpholin-4-ylanilino)pyrimidin-4-yl]phenyl]pyrrolidin-1-ium-2-carboxamide;N-[4-[2-[4-[4-(piperidine-4-carbonyl)piperazin-1-yl]anilino]pyrimidin-4-yl]phenyl]acetamide
CID 87696546

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-N-[4-[2-[4-[4-[2-(dimethylamino)acetyl]piperazin-1-yl]anilino]pyrimidin-4-yl]phenyl]propanamide;1-[4-[2-[4-[4-[(2R)-2-aminopropanoyl]piperazin-1-yl]anilino]pyrimidin-4-yl]phenyl]-3-ethylurea;2-(dimethylamino)-N-[4-[2-[4-[4-[2-(dimethylamino)acetyl]piperazin-1-yl]anilino]pyrimidin-4-yl]phenyl]acetamide;(2R)-N-[4-[2-[4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]anilino]pyrimidin-4-yl]phenyl]pyrrolidine-2-carboxamide;1-ethyl-3-[4-[2-[4-[4-(2-piperazin-1-ylacetyl)piperazin-1-yl]anilino]pyrimidin-4-yl]phenyl]urea;1-ethyl-3-[4-[2-[4-[4-[(2R)-pyrrolidine-2-carbonyl]piperazin-1-yl]anilino]pyrimidin-4-yl]phenyl]urea;(2R)-N-[4-[2-[4-[4-(3-hydroxypropanoyl)piperazin-1-yl]anilino]pyrimidin-4-yl]phenyl]pyrrolidine-2-carboxamide;3,3,3-trifluoro-2-methyl-N-[4-[2-(4-morpholin-4-ylanilino)pyrimidin-4-yl]phenyl]propanamide?
The IUPAC name of (2R)-2-amino-N-[4-[2-[4-[4-[2-(dimethylamino)acetyl]piperazin-1-yl]anilino]pyrimidin-4-yl]phenyl]propanamide;1-[4-[2-[4-[4-[(2R)-2-aminopropanoyl]piperazin-1-yl]anilino]pyrimidin-4-yl]phenyl]-3-ethylurea;2-(dimethylamino)-N-[4-[2-[4-[4-[2-(dimethylamino)acetyl]piperazin-1-yl]anilino]pyrimidin-4-yl]phenyl]acetamide;(2R)-N-[4-[2-[4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]anilino]pyrimidin-4-yl]phenyl]pyrrolidine-2-carboxamide;1-ethyl-3-[4-[2-[4-[4-(2-piperazin-1-ylacetyl)piperazin-1-yl]anilino]pyrimidin-4-yl]phenyl]urea;1-ethyl-3-[4-[2-[4-[4-[(2R)-pyrrolidine-2-carbonyl]piperazin-1-yl]anilino]pyrimidin-4-yl]phenyl]urea;(2R)-N-[4-[2-[4-[4-(3-hydroxypropanoyl)piperazin-1-yl]anilino]pyrimidin-4-yl]phenyl]pyrrolidine-2-carboxamide;3,3,3-trifluoro-2-methyl-N-[4-[2-(4-morpholin-4-ylanilino)pyrimidin-4-yl]phenyl]propanamide (CID 158165007) is (2R)-2-amino-N-[4-[2-[4-[4-[2-(dimethylamino)acetyl]piperazin-1-yl]anilino]pyrimidin-4-yl]phenyl]propanamide;1-[4-[2-[4-[4-[(2R)-2-aminopropanoyl]piperazin-1-yl]anilino]pyrimidin-4-yl]phenyl]-3-ethylurea;2-(dimethylamino)-N-[4-[2-[4-[4-[2-(dimethylamino)acetyl]piperazin-1-yl]anilino]pyrimidin-4-yl]phenyl]acetamide;(2R)-N-[4-[2-[4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]anilino]pyrimidin-4-yl]phenyl]pyrrolidine-2-carboxamide;1-ethyl-3-[4-[2-[4-[4-(2-piperazin-1-ylacetyl)piperazin-1-yl]anilino]pyrimidin-4-yl]phenyl]urea;1-ethyl-3-[4-[2-[4-[4-[(2R)-pyrrolidine-2-carbonyl]piperazin-1-yl]anilino]pyrimidin-4-yl]phenyl]urea;(2R)-N-[4-[2-[4-[4-(3-hydroxypropanoyl)piperazin-1-yl]anilino]pyrimidin-4-yl]phenyl]pyrrolidine-2-carboxamide;3,3,3-trifluoro-2-methyl-N-[4-[2-(4-morpholin-4-ylanilino)pyrimidin-4-yl]phenyl]propanamide.
What is the SMILES notation for (2R)-2-amino-N-[4-[2-[4-[4-[2-(dimethylamino)acetyl]piperazin-1-yl]anilino]pyrimidin-4-yl]phenyl]propanamide;1-[4-[2-[4-[4-[(2R)-2-aminopropanoyl]piperazin-1-yl]anilino]pyrimidin-4-yl]phenyl]-3-ethylurea;2-(dimethylamino)-N-[4-[2-[4-[4-[2-(dimethylamino)acetyl]piperazin-1-yl]anilino]pyrimidin-4-yl]phenyl]acetamide;(2R)-N-[4-[2-[4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]anilino]pyrimidin-4-yl]phenyl]pyrrolidine-2-carboxamide;1-ethyl-3-[4-[2-[4-[4-(2-piperazin-1-ylacetyl)piperazin-1-yl]anilino]pyrimidin-4-yl]phenyl]urea;1-ethyl-3-[4-[2-[4-[4-[(2R)-pyrrolidine-2-carbonyl]piperazin-1-yl]anilino]pyrimidin-4-yl]phenyl]urea;(2R)-N-[4-[2-[4-[4-(3-hydroxypropanoyl)piperazin-1-yl]anilino]pyrimidin-4-yl]phenyl]pyrrolidine-2-carboxamide;3,3,3-trifluoro-2-methyl-N-[4-[2-(4-morpholin-4-ylanilino)pyrimidin-4-yl]phenyl]propanamide?
The canonical SMILES for (2R)-2-amino-N-[4-[2-[4-[4-[2-(dimethylamino)acetyl]piperazin-1-yl]anilino]pyrimidin-4-yl]phenyl]propanamide;1-[4-[2-[4-[4-[(2R)-2-aminopropanoyl]piperazin-1-yl]anilino]pyrimidin-4-yl]phenyl]-3-ethylurea;2-(dimethylamino)-N-[4-[2-[4-[4-[2-(dimethylamino)acetyl]piperazin-1-yl]anilino]pyrimidin-4-yl]phenyl]acetamide;(2R)-N-[4-[2-[4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]anilino]pyrimidin-4-yl]phenyl]pyrrolidine-2-carboxamide;1-ethyl-3-[4-[2-[4-[4-(2-piperazin-1-ylacetyl)piperazin-1-yl]anilino]pyrimidin-4-yl]phenyl]urea;1-ethyl-3-[4-[2-[4-[4-[(2R)-pyrrolidine-2-carbonyl]piperazin-1-yl]anilino]pyrimidin-4-yl]phenyl]urea;(2R)-N-[4-[2-[4-[4-(3-hydroxypropanoyl)piperazin-1-yl]anilino]pyrimidin-4-yl]phenyl]pyrrolidine-2-carboxamide;3,3,3-trifluoro-2-methyl-N-[4-[2-(4-morpholin-4-ylanilino)pyrimidin-4-yl]phenyl]propanamide is CC(C(=O)Nc1ccc(-c2ccnc(Nc3ccc(N4CCOCC4)cc3)n2)cc1)C(F)(F)F.CCNC(=O)Nc1ccc(-c2ccnc(Nc3ccc(N4CCN(C(=O)CN5CCNCC5)CC4)cc3)n2)cc1.CCNC(=O)Nc1ccc(-c2ccnc(Nc3ccc(N4CCN(C(=O)[C@@H](C)N)CC4)cc3)n2)cc1.CCNC(=O)Nc1ccc(-c2ccnc(Nc3ccc(N4CCN(C(=O)[C@H]5CCCN5)CC4)cc3)n2)cc1.CN(C)CC(=O)Nc1ccc(-c2ccnc(Nc3ccc(N4CCN(C(=O)CN(C)C)CC4)cc3)n2)cc1.C[C@@H](N)C(=O)Nc1ccc(-c2ccnc(Nc3ccc(N4CCN(C(=O)CN(C)C)CC4)cc3)n2)cc1.C[C@@H]1CN(c2ccc(Nc3nccc(-c4ccc(NC(=O)[C@H]5CCCN5)cc4)n3)cc2)C[C@H](C)O1.O=C(Nc1ccc(-c2ccnc(Nc3ccc(N4CCN(C(=O)CCO)CC4)cc3)n2)cc1)[C@H]1CCCN1.
What is the InChIKey of (2R)-2-amino-N-[4-[2-[4-[4-[2-(dimethylamino)acetyl]piperazin-1-yl]anilino]pyrimidin-4-yl]phenyl]propanamide;1-[4-[2-[4-[4-[(2R)-2-aminopropanoyl]piperazin-1-yl]anilino]pyrimidin-4-yl]phenyl]-3-ethylurea;2-(dimethylamino)-N-[4-[2-[4-[4-[2-(dimethylamino)acetyl]piperazin-1-yl]anilino]pyrimidin-4-yl]phenyl]acetamide;(2R)-N-[4-[2-[4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]anilino]pyrimidin-4-yl]phenyl]pyrrolidine-2-carboxamide;1-ethyl-3-[4-[2-[4-[4-(2-piperazin-1-ylacetyl)piperazin-1-yl]anilino]pyrimidin-4-yl]phenyl]urea;1-ethyl-3-[4-[2-[4-[4-[(2R)-pyrrolidine-2-carbonyl]piperazin-1-yl]anilino]pyrimidin-4-yl]phenyl]urea;(2R)-N-[4-[2-[4-[4-(3-hydroxypropanoyl)piperazin-1-yl]anilino]pyrimidin-4-yl]phenyl]pyrrolidine-2-carboxamide;3,3,3-trifluoro-2-methyl-N-[4-[2-(4-morpholin-4-ylanilino)pyrimidin-4-yl]phenyl]propanamide?
The InChIKey is FWSRZYDNZLQXOZ-DKTPNSSPSA-N. The full InChI is InChI=1S/C29H37N9O2.C28H34N8O2.C28H36N8O2.C28H33N7O3.C27H34N8O2.C27H32N6O2.C26H32N8O2.C24H24F3N5O2/c1-2-31-29(40)34-24-5-3-22(4-6-24)26-11-12-32-28(35-26)33-23-7-9-25(10-8-23)37-17-19-38(20-18-37)27(39)21-36-15-13-30-14-16-36;1-2-29-28(38)33-22-7-5-20(6-8-22)24-13-15-31-27(34-24)32-21-9-11-23(12-10-21)35-16-18-36(19-17-35)26(37)25-4-3-14-30-25;1-33(2)19-26(37)30-22-7-5-21(6-8-22)25-13-14-29-28(32-25)31-23-9-11-24(12-10-23)35-15-17-36(18-16-35)27(38)20-34(3)4;36-19-12-26(37)35-17-15-34(16-18-35)23-9-7-22(8-10-23)32-28-30-14-11-24(33-28)20-3-5-21(6-4-20)31-27(38)25-2-1-13-29-25;1-19(28)26(37)30-21-6-4-20(5-7-21)24-12-13-29-27(32-24)31-22-8-10-23(11-9-22)34-14-16-35(17-15-34)25(36)18-33(2)3;1-18-16-33(17-19(2)35-18)23-11-9-22(10-12-23)31-27-29-15-13-24(32-27)20-5-7-21(8-6-20)30-26(34)25-4-3-14-28-25;1-3-28-26(36)31-21-6-4-19(5-7-21)23-12-13-29-25(32-23)30-20-8-10-22(11-9-20)33-14-16-34(17-15-33)24(35)18(2)27;1-16(24(25,26)27)22(33)29-18-4-2-17(3-5-18)21-10-11-28-23(31-21)30-19-6-8-20(9-7-19)32-12-14-34-15-13-32/h3-12,30H,2,13-21H2,1H3,(H2,31,34,40)(H,32,33,35);5-13,15,25,30H,2-4,14,16-19H2,1H3,(H2,29,33,38)(H,31,32,34);5-14H,15-20H2,1-4H3,(H,30,37)(H,29,31,32);3-11,14,25,29,36H,1-2,12-13,15-19H2,(H,31,38)(H,30,32,33);4-13,19H,14-18,28H2,1-3H3,(H,30,37)(H,29,31,32);5-13,15,18-19,25,28H,3-4,14,16-17H2,1-2H3,(H,30,34)(H,29,31,32);4-13,18H,3,14-17,27H2,1-2H3,(H2,28,31,36)(H,29,30,32);2-11,16H,12-15H2,1H3,(H,29,33)(H,28,30,31)/t;25-;;25-;19-;18-,19+,25-;18-;/m.1.1111./s1.
What are the key properties of (2R)-2-amino-N-[4-[2-[4-[4-[2-(dimethylamino)acetyl]piperazin-1-yl]anilino]pyrimidin-4-yl]phenyl]propanamide;1-[4-[2-[4-[4-[(2R)-2-aminopropanoyl]piperazin-1-yl]anilino]pyrimidin-4-yl]phenyl]-3-ethylurea;2-(dimethylamino)-N-[4-[2-[4-[4-[2-(dimethylamino)acetyl]piperazin-1-yl]anilino]pyrimidin-4-yl]phenyl]acetamide;(2R)-N-[4-[2-[4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]anilino]pyrimidin-4-yl]phenyl]pyrrolidine-2-carboxamide;1-ethyl-3-[4-[2-[4-[4-(2-piperazin-1-ylacetyl)piperazin-1-yl]anilino]pyrimidin-4-yl]phenyl]urea;1-ethyl-3-[4-[2-[4-[4-[(2R)-pyrrolidine-2-carbonyl]piperazin-1-yl]anilino]pyrimidin-4-yl]phenyl]urea;(2R)-N-[4-[2-[4-[4-(3-hydroxypropanoyl)piperazin-1-yl]anilino]pyrimidin-4-yl]phenyl]pyrrolidine-2-carboxamide;3,3,3-trifluoro-2-methyl-N-[4-[2-(4-morpholin-4-ylanilino)pyrimidin-4-yl]phenyl]propanamide?
(2R)-2-amino-N-[4-[2-[4-[4-[2-(dimethylamino)acetyl]piperazin-1-yl]anilino]pyrimidin-4-yl]phenyl]propanamide;1-[4-[2-[4-[4-[(2R)-2-aminopropanoyl]piperazin-1-yl]anilino]pyrimidin-4-yl]phenyl]-3-ethylurea;2-(dimethylamino)-N-[4-[2-[4-[4-[2-(dimethylamino)acetyl]piperazin-1-yl]anilino]pyrimidin-4-yl]phenyl]acetamide;(2R)-N-[4-[2-[4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]anilino]pyrimidin-4-yl]phenyl]pyrrolidine-2-carboxamide;1-ethyl-3-[4-[2-[4-[4-(2-piperazin-1-ylacetyl)piperazin-1-yl]anilino]pyrimidin-4-yl]phenyl]urea;1-ethyl-3-[4-[2-[4-[4-[(2R)-pyrrolidine-2-carbonyl]piperazin-1-yl]anilino]pyrimidin-4-yl]phenyl]urea;(2R)-N-[4-[2-[4-[4-(3-hydroxypropanoyl)piperazin-1-yl]anilino]pyrimidin-4-yl]phenyl]pyrrolidine-2-carboxamide;3,3,3-trifluoro-2-methyl-N-[4-[2-(4-morpholin-4-ylanilino)pyrimidin-4-yl]phenyl]propanamide has a molecular weight of 4025.87 g/mol, XLogP of 25.68, 59 rotatable bonds, 26 hydrogen bond donors, and 59 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-N-[4-[2-[4-[4-[2-(dimethylamino)acetyl]piperazin-1-yl]anilino]pyrimidin-4-yl]phenyl]propanamide;1-[4-[2-[4-[4-[(2R)-2-aminopropanoyl]piperazin-1-yl]anilino]pyrimidin-4-yl]phenyl]-3-ethylurea;2-(dimethylamino)-N-[4-[2-[4-[4-[2-(dimethylamino)acetyl]piperazin-1-yl]anilino]pyrimidin-4-yl]phenyl]acetamide;(2R)-N-[4-[2-[4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]anilino]pyrimidin-4-yl]phenyl]pyrrolidine-2-carboxamide;1-ethyl-3-[4-[2-[4-[4-(2-piperazin-1-ylacetyl)piperazin-1-yl]anilino]pyrimidin-4-yl]phenyl]urea;1-ethyl-3-[4-[2-[4-[4-[(2R)-pyrrolidine-2-carbonyl]piperazin-1-yl]anilino]pyrimidin-4-yl]phenyl]urea;(2R)-N-[4-[2-[4-[4-(3-hydroxypropanoyl)piperazin-1-yl]anilino]pyrimidin-4-yl]phenyl]pyrrolidine-2-carboxamide;3,3,3-trifluoro-2-methyl-N-[4-[2-(4-morpholin-4-ylanilino)pyrimidin-4-yl]phenyl]propanamide is sourced from PubChem (CID 158165007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).