(2R)-2-amino-N-[4-[2-[4-(4-ethylpiperazin-1-yl)anilino]-5-methylpyrimidin-4-yl]phenyl]propanamide;(2S)-N-[4-[2-[4-[4-[3-(dimethylamino)-2,2-dimethylpropyl]piperazin-1-yl]-3-fluoroanilino]pyrimidin-4-yl]phenyl]-5-oxopyrrolidine-2-carboxamide;1-[3-(dimethylamino)propyl]-3-[4-[2-(4-morpholin-4-ylanilino)pyrimidin-4-yl]phenyl]urea;(2R)-N-[4-[2-[4-(4-ethylpiperazin-1-yl)anilino]-5-methylpyrimidin-4-yl]phenyl]pyrrolidine-2-carboxamide;1-(3-methoxypropyl)-3-[4-[2-(4-morpholin-4-ylanilino)pyrimidin-4-yl]phenyl]urea;(2R)-N-[4-[2-[4-[4-[[(2S)-pyrrolidin-2-yl]methyl]piperazin-1-yl]anilino]pyrimidin-4-yl]phenyl]pyrrolidine-2-carboxamide

C167H210FN43O10 — CID 162084247

About (2R)-2-amino-N-[4-[2-[4-(4-ethylpiperazin-1-yl)anilino]-5-methylpyrimidin-4-yl]phenyl]propanamide;(2S)-N-[4-[2-[4-[4-[3-(dimethylamino)-2,2-dimethylpropyl]piperazin-1-yl]-3-fluoroanilino]pyrimidin-4-yl]phenyl]-5-oxopyrrolidine-2-carboxamide;1-[3-(dimethylamino)propyl]-3-[4-[2-(4-morpholin-4-ylanilino)pyrimidin-4-yl]phenyl]urea;(2R)-N-[4-[2-[4-(4-ethylpiperazin-1-yl)anilino]-5-methylpyrimidin-4-yl]phenyl]pyrrolidine-2-carboxamide;1-(3-methoxypropyl)-3-[4-[2-(4-morpholin-4-ylanilino)pyrimidin-4-yl]phenyl]urea;(2R)-N-[4-[2-[4-[4-[[(2S)-pyrrolidin-2-yl]methyl]piperazin-1-yl]anilino]pyrimidin-4-yl]phenyl]pyrrolidine-2-carboxamide

(2R)-2-amino-N-[4-[2-[4-(4-ethylpiperazin-1-yl)anilino]-5-methylpyrimidin-4-yl]phenyl]propanamide;(2S)-N-[4-[2-[4-[4-[3-(dimethylamino)-2,2-dimethylpropyl]piperazin-1-yl]-3-fluoroanilino]pyrimidin-4-yl]phenyl]-5-oxopyrrolidine-2-carboxamide;1-[3-(dimethylamino)propyl]-3-[4-[2-(4-morpholin-4-ylanilino)pyrimidin-4-yl]phenyl]urea;(2R)-N-[4-[2-[4-(4-ethylpiperazin-1-yl)anilino]-5-methylpyrimidin-4-yl]phenyl]pyrrolidine-2-carboxamide;1-(3-methoxypropyl)-3-[4-[2-(4-morpholin-4-ylanilino)pyrimidin-4-yl]phenyl]urea;(2R)-N-[4-[2-[4-[4-[[(2S)-pyrrolidin-2-yl]methyl]piperazin-1-yl]anilino]pyrimidin-4-yl]phenyl]pyrrolidine-2-carboxamide (PubChem CID 162084247) has the molecular formula C167H210FN43O10 and a molecular weight of 2998.81 g/mol. Its IUPAC name is (2R)-2-amino-N-[4-[2-[4-(4-ethylpiperazin-1-yl)anilino]-5-methylpyrimidin-4-yl]phenyl]propanamide;(2S)-N-[4-[2-[4-[4-[3-(dimethylamino)-2,2-dimethylpropyl]piperazin-1-yl]-3-fluoroanilino]pyrimidin-4-yl]phenyl]-5-oxopyrrolidine-2-carboxamide;1-[3-(dimethylamino)propyl]-3-[4-[2-(4-morpholin-4-ylanilino)pyrimidin-4-yl]phenyl]urea;(2R)-N-[4-[2-[4-(4-ethylpiperazin-1-yl)anilino]-5-methylpyrimidin-4-yl]phenyl]pyrrolidine-2-carboxamide;1-(3-methoxypropyl)-3-[4-[2-(4-morpholin-4-ylanilino)pyrimidin-4-yl]phenyl]urea;(2R)-N-[4-[2-[4-[4-[[(2S)-pyrrolidin-2-yl]methyl]piperazin-1-yl]anilino]pyrimidin-4-yl]phenyl]pyrrolidine-2-carboxamide.

Molecular Properties

• Compound Name: (2R)-2-amino-N-[4-[2-[4-(4-ethylpiperazin-1-yl)anilino]-5-methylpyrimidin-4-yl]phenyl]propanamide;(2S)-N-[4-[2-[4-[4-[3-(dimethylamino)-2,2-dimethylpropyl]piperazin-1-yl]-3-fluoroanilino]pyrimidin-4-yl]phenyl]-5-oxopyrrolidine-2-carboxamide;1-[3-(dimethylamino)propyl]-3-[4-[2-(4-morpholin-4-ylanilino)pyrimidin-4-yl]phenyl]urea;(2R)-N-[4-[2-[4-(4-ethylpiperazin-1-yl)anilino]-5-methylpyrimidin-4-yl]phenyl]pyrrolidine-2-carboxamide;1-(3-methoxypropyl)-3-[4-[2-(4-morpholin-4-ylanilino)pyrimidin-4-yl]phenyl]urea;(2R)-N-[4-[2-[4-[4-[[(2S)-pyrrolidin-2-yl]methyl]piperazin-1-yl]anilino]pyrimidin-4-yl]phenyl]pyrrolidine-2-carboxamide
• PubChem CID: 162084247
• Molecular Formula: C167H210FN43O10
• Molecular Weight: 2998.81 g/mol
• Exact Mass: 2996.72
• IUPAC Name: (2R)-2-amino-N-[4-[2-[4-(4-ethylpiperazin-1-yl)anilino]-5-methylpyrimidin-4-yl]phenyl]propanamide;(2S)-N-[4-[2-[4-[4-[3-(dimethylamino)-2,2-dimethylpropyl]piperazin-1-yl]-3-fluoroanilino]pyrimidin-4-yl]phenyl]-5-oxopyrrolidine-2-carboxamide;1-[3-(dimethylamino)propyl]-3-[4-[2-(4-morpholin-4-ylanilino)pyrimidin-4-yl]phenyl]urea;(2R)-N-[4-[2-[4-(4-ethylpiperazin-1-yl)anilino]-5-methylpyrimidin-4-yl]phenyl]pyrrolidine-2-carboxamide;1-(3-methoxypropyl)-3-[4-[2-(4-morpholin-4-ylanilino)pyrimidin-4-yl]phenyl]urea;(2R)-N-[4-[2-[4-[4-[[(2S)-pyrrolidin-2-yl]methyl]piperazin-1-yl]anilino]pyrimidin-4-yl]phenyl]pyrrolidine-2-carboxamide
• SMILES: CCN1CCN(c2ccc(Nc3ncc(C)c(-c4ccc(NC(=O)[C@@H](C)N)cc4)n3)cc2)CC1.CCN1CCN(c2ccc(Nc3ncc(C)c(-c4ccc(NC(=O)[C@H]5CCCN5)cc4)n3)cc2)CC1.CN(C)CC(C)(C)CN1CCN(c2ccc(Nc3nccc(-c4ccc(NC(=O)[C@@H]5CCC(=O)N5)cc4)n3)cc2F)CC1.CN(C)CCCNC(=O)Nc1ccc(-c2ccnc(Nc3ccc(N4CCOCC4)cc3)n2)cc1.COCCCNC(=O)Nc1ccc(-c2ccnc(Nc3ccc(N4CCOCC4)cc3)n2)cc1.O=C(Nc1ccc(-c2ccnc(Nc3ccc(N4CCN(C[C@@H]5CCCN5)CC4)cc3)n2)cc1)[C@H]1CCCN1
• InChI: InChI=1S/C32H41FN8O2.C30H38N8O.C28H35N7O.C26H33N7O2.C26H33N7O.C25H30N6O3/c1-32(2,20-39(3)4)21-40-15-17-41(18-16-40)28-11-9-24(19-25(28)33)36-31-34-14-13-26(38-31)22-5-7-23(8-6-22)35-30(43)27-10-12-29(42)37-27;39-29(28-4-2-15-32-28)34-23-7-5-22(6-8-23)27-13-16-33-30(36-27)35-24-9-11-26(12-10-24)38-19-17-37(18-20-38)21-25-3-1-14-31-25;1-3-34-15-17-35(18-16-34)24-12-10-23(11-13-24)32-28-30-19-20(2)26(33-28)21-6-8-22(9-7-21)31-27(36)25-5-4-14-29-25;1-32(2)15-3-13-28-26(34)30-22-6-4-20(5-7-22)24-12-14-27-25(31-24)29-21-8-10-23(11-9-21)33-16-18-35-19-17-33;1-4-32-13-15-33(16-14-32)23-11-9-22(10-12-23)30-26-28-17-18(2)24(31-26)20-5-7-21(8-6-20)29-25(34)19(3)27;1-33-16-2-12-27-25(32)29-21-5-3-19(4-6-21)23-11-13-26-24(30-23)28-20-7-9-22(10-8-20)31-14-17-34-18-15-31/h5-9,11,13-14,19,27H,10,12,15-18,20-21H2,1-4H3,(H,35,43)(H,37,42)(H,34,36,38);5-13,16,25,28,31-32H,1-4,14-15,17-21H2,(H,34,39)(H,33,35,36);6-13,19,25,29H,3-5,14-18H2,1-2H3,(H,31,36)(H,30,32,33);4-12,14H,3,13,15-19H2,1-2H3,(H,27,29,31)(H2,28,30,34);5-12,17,19H,4,13-16,27H2,1-3H3,(H,29,34)(H,28,30,31);3-11,13H,2,12,14-18H2,1H3,(H,26,28,30)(H2,27,29,32)/t27-;25-,28+;25-;;19-;/m001.1./s1
• InChIKey: ZCTCIKGABILZED-BGCBCOKTSA-N
• XLogP: 22.73
• TPSA: 583.30 Ų
• H-Bond Donors: 19
• H-Bond Acceptors: 44
• Rotatable Bonds: 50
• Heavy Atoms: 221
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2998.81
LogP ≤ 5	22.73
H-Bond Donors ≤ 5	19
H-Bond Acceptors ≤ 10	44

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-N-[4-[2-[4-(4-ethylpiperazin-1-yl)anilino]-5-methylpyrimidin-4-yl]phenyl]propanamide;(2S)-N-[4-[2-[4-[4-[3-(dimethylamino)-2,2-dimethylpropyl]piperazin-1-yl]-3-fluoroanilino]pyrimidin-4-yl]phenyl]-5-oxopyrrolidine-2-carboxamide;1-[3-(dimethylamino)propyl]-3-[4-[2-(4-morpholin-4-ylanilino)pyrimidin-4-yl]phenyl]urea;(2R)-N-[4-[2-[4-(4-ethylpiperazin-1-yl)anilino]-5-methylpyrimidin-4-yl]phenyl]pyrrolidine-2-carboxamide;1-(3-methoxypropyl)-3-[4-[2-(4-morpholin-4-ylanilino)pyrimidin-4-yl]phenyl]urea;(2R)-N-[4-[2-[4-[4-[[(2S)-pyrrolidin-2-yl]methyl]piperazin-1-yl]anilino]pyrimidin-4-yl]phenyl]pyrrolidine-2-carboxamide?

The IUPAC name of (2R)-2-amino-N-[4-[2-[4-(4-ethylpiperazin-1-yl)anilino]-5-methylpyrimidin-4-yl]phenyl]propanamide;(2S)-N-[4-[2-[4-[4-[3-(dimethylamino)-2,2-dimethylpropyl]piperazin-1-yl]-3-fluoroanilino]pyrimidin-4-yl]phenyl]-5-oxopyrrolidine-2-carboxamide;1-[3-(dimethylamino)propyl]-3-[4-[2-(4-morpholin-4-ylanilino)pyrimidin-4-yl]phenyl]urea;(2R)-N-[4-[2-[4-(4-ethylpiperazin-1-yl)anilino]-5-methylpyrimidin-4-yl]phenyl]pyrrolidine-2-carboxamide;1-(3-methoxypropyl)-3-[4-[2-(4-morpholin-4-ylanilino)pyrimidin-4-yl]phenyl]urea;(2R)-N-[4-[2-[4-[4-[[(2S)-pyrrolidin-2-yl]methyl]piperazin-1-yl]anilino]pyrimidin-4-yl]phenyl]pyrrolidine-2-carboxamide (CID 162084247) is (2R)-2-amino-N-[4-[2-[4-(4-ethylpiperazin-1-yl)anilino]-5-methylpyrimidin-4-yl]phenyl]propanamide;(2S)-N-[4-[2-[4-[4-[3-(dimethylamino)-2,2-dimethylpropyl]piperazin-1-yl]-3-fluoroanilino]pyrimidin-4-yl]phenyl]-5-oxopyrrolidine-2-carboxamide;1-[3-(dimethylamino)propyl]-3-[4-[2-(4-morpholin-4-ylanilino)pyrimidin-4-yl]phenyl]urea;(2R)-N-[4-[2-[4-(4-ethylpiperazin-1-yl)anilino]-5-methylpyrimidin-4-yl]phenyl]pyrrolidine-2-carboxamide;1-(3-methoxypropyl)-3-[4-[2-(4-morpholin-4-ylanilino)pyrimidin-4-yl]phenyl]urea;(2R)-N-[4-[2-[4-[4-[[(2S)-pyrrolidin-2-yl]methyl]piperazin-1-yl]anilino]pyrimidin-4-yl]phenyl]pyrrolidine-2-carboxamide.

What is the SMILES notation for (2R)-2-amino-N-[4-[2-[4-(4-ethylpiperazin-1-yl)anilino]-5-methylpyrimidin-4-yl]phenyl]propanamide;(2S)-N-[4-[2-[4-[4-[3-(dimethylamino)-2,2-dimethylpropyl]piperazin-1-yl]-3-fluoroanilino]pyrimidin-4-yl]phenyl]-5-oxopyrrolidine-2-carboxamide;1-[3-(dimethylamino)propyl]-3-[4-[2-(4-morpholin-4-ylanilino)pyrimidin-4-yl]phenyl]urea;(2R)-N-[4-[2-[4-(4-ethylpiperazin-1-yl)anilino]-5-methylpyrimidin-4-yl]phenyl]pyrrolidine-2-carboxamide;1-(3-methoxypropyl)-3-[4-[2-(4-morpholin-4-ylanilino)pyrimidin-4-yl]phenyl]urea;(2R)-N-[4-[2-[4-[4-[[(2S)-pyrrolidin-2-yl]methyl]piperazin-1-yl]anilino]pyrimidin-4-yl]phenyl]pyrrolidine-2-carboxamide?

The canonical SMILES for (2R)-2-amino-N-[4-[2-[4-(4-ethylpiperazin-1-yl)anilino]-5-methylpyrimidin-4-yl]phenyl]propanamide;(2S)-N-[4-[2-[4-[4-[3-(dimethylamino)-2,2-dimethylpropyl]piperazin-1-yl]-3-fluoroanilino]pyrimidin-4-yl]phenyl]-5-oxopyrrolidine-2-carboxamide;1-[3-(dimethylamino)propyl]-3-[4-[2-(4-morpholin-4-ylanilino)pyrimidin-4-yl]phenyl]urea;(2R)-N-[4-[2-[4-(4-ethylpiperazin-1-yl)anilino]-5-methylpyrimidin-4-yl]phenyl]pyrrolidine-2-carboxamide;1-(3-methoxypropyl)-3-[4-[2-(4-morpholin-4-ylanilino)pyrimidin-4-yl]phenyl]urea;(2R)-N-[4-[2-[4-[4-[[(2S)-pyrrolidin-2-yl]methyl]piperazin-1-yl]anilino]pyrimidin-4-yl]phenyl]pyrrolidine-2-carboxamide is CCN1CCN(c2ccc(Nc3ncc(C)c(-c4ccc(NC(=O)[C@@H](C)N)cc4)n3)cc2)CC1.CCN1CCN(c2ccc(Nc3ncc(C)c(-c4ccc(NC(=O)[C@H]5CCCN5)cc4)n3)cc2)CC1.CN(C)CC(C)(C)CN1CCN(c2ccc(Nc3nccc(-c4ccc(NC(=O)[C@@H]5CCC(=O)N5)cc4)n3)cc2F)CC1.CN(C)CCCNC(=O)Nc1ccc(-c2ccnc(Nc3ccc(N4CCOCC4)cc3)n2)cc1.COCCCNC(=O)Nc1ccc(-c2ccnc(Nc3ccc(N4CCOCC4)cc3)n2)cc1.O=C(Nc1ccc(-c2ccnc(Nc3ccc(N4CCN(C[C@@H]5CCCN5)CC4)cc3)n2)cc1)[C@H]1CCCN1.

What is the InChIKey of (2R)-2-amino-N-[4-[2-[4-(4-ethylpiperazin-1-yl)anilino]-5-methylpyrimidin-4-yl]phenyl]propanamide;(2S)-N-[4-[2-[4-[4-[3-(dimethylamino)-2,2-dimethylpropyl]piperazin-1-yl]-3-fluoroanilino]pyrimidin-4-yl]phenyl]-5-oxopyrrolidine-2-carboxamide;1-[3-(dimethylamino)propyl]-3-[4-[2-(4-morpholin-4-ylanilino)pyrimidin-4-yl]phenyl]urea;(2R)-N-[4-[2-[4-(4-ethylpiperazin-1-yl)anilino]-5-methylpyrimidin-4-yl]phenyl]pyrrolidine-2-carboxamide;1-(3-methoxypropyl)-3-[4-[2-(4-morpholin-4-ylanilino)pyrimidin-4-yl]phenyl]urea;(2R)-N-[4-[2-[4-[4-[[(2S)-pyrrolidin-2-yl]methyl]piperazin-1-yl]anilino]pyrimidin-4-yl]phenyl]pyrrolidine-2-carboxamide?

The InChIKey is ZCTCIKGABILZED-BGCBCOKTSA-N. The full InChI is InChI=1S/C32H41FN8O2.C30H38N8O.C28H35N7O.C26H33N7O2.C26H33N7O.C25H30N6O3/c1-32(2,20-39(3)4)21-40-15-17-41(18-16-40)28-11-9-24(19-25(28)33)36-31-34-14-13-26(38-31)22-5-7-23(8-6-22)35-30(43)27-10-12-29(42)37-27;39-29(28-4-2-15-32-28)34-23-7-5-22(6-8-23)27-13-16-33-30(36-27)35-24-9-11-26(12-10-24)38-19-17-37(18-20-38)21-25-3-1-14-31-25;1-3-34-15-17-35(18-16-34)24-12-10-23(11-13-24)32-28-30-19-20(2)26(33-28)21-6-8-22(9-7-21)31-27(36)25-5-4-14-29-25;1-32(2)15-3-13-28-26(34)30-22-6-4-20(5-7-22)24-12-14-27-25(31-24)29-21-8-10-23(11-9-21)33-16-18-35-19-17-33;1-4-32-13-15-33(16-14-32)23-11-9-22(10-12-23)30-26-28-17-18(2)24(31-26)20-5-7-21(8-6-20)29-25(34)19(3)27;1-33-16-2-12-27-25(32)29-21-5-3-19(4-6-21)23-11-13-26-24(30-23)28-20-7-9-22(10-8-20)31-14-17-34-18-15-31/h5-9,11,13-14,19,27H,10,12,15-18,20-21H2,1-4H3,(H,35,43)(H,37,42)(H,34,36,38);5-13,16,25,28,31-32H,1-4,14-15,17-21H2,(H,34,39)(H,33,35,36);6-13,19,25,29H,3-5,14-18H2,1-2H3,(H,31,36)(H,30,32,33);4-12,14H,3,13,15-19H2,1-2H3,(H,27,29,31)(H2,28,30,34);5-12,17,19H,4,13-16,27H2,1-3H3,(H,29,34)(H,28,30,31);3-11,13H,2,12,14-18H2,1H3,(H,26,28,30)(H2,27,29,32)/t27-;25-,28+;25-;;19-;/m001.1./s1.

What are the key properties of (2R)-2-amino-N-[4-[2-[4-(4-ethylpiperazin-1-yl)anilino]-5-methylpyrimidin-4-yl]phenyl]propanamide;(2S)-N-[4-[2-[4-[4-[3-(dimethylamino)-2,2-dimethylpropyl]piperazin-1-yl]-3-fluoroanilino]pyrimidin-4-yl]phenyl]-5-oxopyrrolidine-2-carboxamide;1-[3-(dimethylamino)propyl]-3-[4-[2-(4-morpholin-4-ylanilino)pyrimidin-4-yl]phenyl]urea;(2R)-N-[4-[2-[4-(4-ethylpiperazin-1-yl)anilino]-5-methylpyrimidin-4-yl]phenyl]pyrrolidine-2-carboxamide;1-(3-methoxypropyl)-3-[4-[2-(4-morpholin-4-ylanilino)pyrimidin-4-yl]phenyl]urea;(2R)-N-[4-[2-[4-[4-[[(2S)-pyrrolidin-2-yl]methyl]piperazin-1-yl]anilino]pyrimidin-4-yl]phenyl]pyrrolidine-2-carboxamide?

(2R)-2-amino-N-[4-[2-[4-(4-ethylpiperazin-1-yl)anilino]-5-methylpyrimidin-4-yl]phenyl]propanamide;(2S)-N-[4-[2-[4-[4-[3-(dimethylamino)-2,2-dimethylpropyl]piperazin-1-yl]-3-fluoroanilino]pyrimidin-4-yl]phenyl]-5-oxopyrrolidine-2-carboxamide;1-[3-(dimethylamino)propyl]-3-[4-[2-(4-morpholin-4-ylanilino)pyrimidin-4-yl]phenyl]urea;(2R)-N-[4-[2-[4-(4-ethylpiperazin-1-yl)anilino]-5-methylpyrimidin-4-yl]phenyl]pyrrolidine-2-carboxamide;1-(3-methoxypropyl)-3-[4-[2-(4-morpholin-4-ylanilino)pyrimidin-4-yl]phenyl]urea;(2R)-N-[4-[2-[4-[4-[[(2S)-pyrrolidin-2-yl]methyl]piperazin-1-yl]anilino]pyrimidin-4-yl]phenyl]pyrrolidine-2-carboxamide has a molecular weight of 2998.81 g/mol, XLogP of 22.73, 50 rotatable bonds, 19 hydrogen bond donors, and 44 hydrogen bond acceptors.

Where does this data come from?

All data for (2R)-2-amino-N-[4-[2-[4-(4-ethylpiperazin-1-yl)anilino]-5-methylpyrimidin-4-yl]phenyl]propanamide;(2S)-N-[4-[2-[4-[4-[3-(dimethylamino)-2,2-dimethylpropyl]piperazin-1-yl]-3-fluoroanilino]pyrimidin-4-yl]phenyl]-5-oxopyrrolidine-2-carboxamide;1-[3-(dimethylamino)propyl]-3-[4-[2-(4-morpholin-4-ylanilino)pyrimidin-4-yl]phenyl]urea;(2R)-N-[4-[2-[4-(4-ethylpiperazin-1-yl)anilino]-5-methylpyrimidin-4-yl]phenyl]pyrrolidine-2-carboxamide;1-(3-methoxypropyl)-3-[4-[2-(4-morpholin-4-ylanilino)pyrimidin-4-yl]phenyl]urea;(2R)-N-[4-[2-[4-[4-[[(2S)-pyrrolidin-2-yl]methyl]piperazin-1-yl]anilino]pyrimidin-4-yl]phenyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 162084247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).