N-[4-[2-[4-(4-benzoylpiperazin-1-yl)anilino]pyrimidin-4-yl]phenyl]acetamide;N-[4-[2-[4-(4-ethylpiperazin-1-yl)anilino]pyrimidin-4-yl]phenyl]oxolane-3-carboxamide;(2S)-1-(2-hydroxyethyl)-N-[4-[2-(4-morpholin-4-ylanilino)pyrimidin-4-yl]phenyl]pyrrolidine-2-carboxamide;N-[4-[2-[4-(4-methylpiperazin-1-yl)anilino]pyrimidin-4-yl]phenyl]acetamide;N-[4-[2-[(4-morpholin-4-ylphenyl)methyl]pyrimidin-4-yl]phenyl]thiophene-2-carboxamide;2-phenyl-N-[4-[2-[4-[4-(pyridine-3-carbonyl)piperazin-1-yl]anilino]pyrimidin-4-yl]phenyl]acetamide

C166H173N35O12S — CID 158482664

About N-[4-[2-[4-(4-benzoylpiperazin-1-yl)anilino]pyrimidin-4-yl]phenyl]acetamide;N-[4-[2-[4-(4-ethylpiperazin-1-yl)anilino]pyrimidin-4-yl]phenyl]oxolane-3-carboxamide;(2S)-1-(2-hydroxyethyl)-N-[4-[2-(4-morpholin-4-ylanilino)pyrimidin-4-yl]phenyl]pyrrolidine-2-carboxamide;N-[4-[2-[4-(4-methylpiperazin-1-yl)anilino]pyrimidin-4-yl]phenyl]acetamide;N-[4-[2-[(4-morpholin-4-ylphenyl)methyl]pyrimidin-4-yl]phenyl]thiophene-2-carboxamide;2-phenyl-N-[4-[2-[4-[4-(pyridine-3-carbonyl)piperazin-1-yl]anilino]pyrimidin-4-yl]phenyl]acetamide

N-[4-[2-[4-(4-benzoylpiperazin-1-yl)anilino]pyrimidin-4-yl]phenyl]acetamide;N-[4-[2-[4-(4-ethylpiperazin-1-yl)anilino]pyrimidin-4-yl]phenyl]oxolane-3-carboxamide;(2S)-1-(2-hydroxyethyl)-N-[4-[2-(4-morpholin-4-ylanilino)pyrimidin-4-yl]phenyl]pyrrolidine-2-carboxamide;N-[4-[2-[4-(4-methylpiperazin-1-yl)anilino]pyrimidin-4-yl]phenyl]acetamide;N-[4-[2-[(4-morpholin-4-ylphenyl)methyl]pyrimidin-4-yl]phenyl]thiophene-2-carboxamide;2-phenyl-N-[4-[2-[4-[4-(pyridine-3-carbonyl)piperazin-1-yl]anilino]pyrimidin-4-yl]phenyl]acetamide (PubChem CID 158482664) has the molecular formula C166H173N35O12S and a molecular weight of 2882.51 g/mol. Its IUPAC name is N-[4-[2-[4-(4-benzoylpiperazin-1-yl)anilino]pyrimidin-4-yl]phenyl]acetamide;N-[4-[2-[4-(4-ethylpiperazin-1-yl)anilino]pyrimidin-4-yl]phenyl]oxolane-3-carboxamide;(2S)-1-(2-hydroxyethyl)-N-[4-[2-(4-morpholin-4-ylanilino)pyrimidin-4-yl]phenyl]pyrrolidine-2-carboxamide;N-[4-[2-[4-(4-methylpiperazin-1-yl)anilino]pyrimidin-4-yl]phenyl]acetamide;N-[4-[2-[(4-morpholin-4-ylphenyl)methyl]pyrimidin-4-yl]phenyl]thiophene-2-carboxamide;2-phenyl-N-[4-[2-[4-[4-(pyridine-3-carbonyl)piperazin-1-yl]anilino]pyrimidin-4-yl]phenyl]acetamide.

Molecular Properties

• Compound Name: N-[4-[2-[4-(4-benzoylpiperazin-1-yl)anilino]pyrimidin-4-yl]phenyl]acetamide;N-[4-[2-[4-(4-ethylpiperazin-1-yl)anilino]pyrimidin-4-yl]phenyl]oxolane-3-carboxamide;(2S)-1-(2-hydroxyethyl)-N-[4-[2-(4-morpholin-4-ylanilino)pyrimidin-4-yl]phenyl]pyrrolidine-2-carboxamide;N-[4-[2-[4-(4-methylpiperazin-1-yl)anilino]pyrimidin-4-yl]phenyl]acetamide;N-[4-[2-[(4-morpholin-4-ylphenyl)methyl]pyrimidin-4-yl]phenyl]thiophene-2-carboxamide;2-phenyl-N-[4-[2-[4-[4-(pyridine-3-carbonyl)piperazin-1-yl]anilino]pyrimidin-4-yl]phenyl]acetamide
• PubChem CID: 158482664
• Molecular Formula: C166H173N35O12S
• Molecular Weight: 2882.51 g/mol
• Exact Mass: 2880.37
• IUPAC Name: N-[4-[2-[4-(4-benzoylpiperazin-1-yl)anilino]pyrimidin-4-yl]phenyl]acetamide;N-[4-[2-[4-(4-ethylpiperazin-1-yl)anilino]pyrimidin-4-yl]phenyl]oxolane-3-carboxamide;(2S)-1-(2-hydroxyethyl)-N-[4-[2-(4-morpholin-4-ylanilino)pyrimidin-4-yl]phenyl]pyrrolidine-2-carboxamide;N-[4-[2-[4-(4-methylpiperazin-1-yl)anilino]pyrimidin-4-yl]phenyl]acetamide;N-[4-[2-[(4-morpholin-4-ylphenyl)methyl]pyrimidin-4-yl]phenyl]thiophene-2-carboxamide;2-phenyl-N-[4-[2-[4-[4-(pyridine-3-carbonyl)piperazin-1-yl]anilino]pyrimidin-4-yl]phenyl]acetamide
• SMILES: CC(=O)Nc1ccc(-c2ccnc(Nc3ccc(N4CCN(C(=O)c5ccccc5)CC4)cc3)n2)cc1.CC(=O)Nc1ccc(-c2ccnc(Nc3ccc(N4CCN(C)CC4)cc3)n2)cc1.CCN1CCN(c2ccc(Nc3nccc(-c4ccc(NC(=O)C5CCOC5)cc4)n3)cc2)CC1.O=C(Cc1ccccc1)Nc1ccc(-c2ccnc(Nc3ccc(N4CCN(C(=O)c5cccnc5)CC4)cc3)n2)cc1.O=C(Nc1ccc(-c2ccnc(Cc3ccc(N4CCOCC4)cc3)n2)cc1)c1cccs1.O=C(Nc1ccc(-c2ccnc(Nc3ccc(N4CCOCC4)cc3)n2)cc1)[C@@H]1CCCN1CCO
• InChI: InChI=1S/C34H31N7O2.C29H28N6O2.C27H32N6O3.C27H32N6O2.C26H24N4O2S.C23H26N6O/c42-32(23-25-5-2-1-3-6-25)37-28-10-8-26(9-11-28)31-16-18-36-34(39-31)38-29-12-14-30(15-13-29)40-19-21-41(22-20-40)33(43)27-7-4-17-35-24-27;1-21(36)31-24-9-7-22(8-10-24)27-15-16-30-29(33-27)32-25-11-13-26(14-12-25)34-17-19-35(20-18-34)28(37)23-5-3-2-4-6-23;34-17-14-33-13-1-2-25(33)26(35)29-21-5-3-20(4-6-21)24-11-12-28-27(31-24)30-22-7-9-23(10-8-22)32-15-18-36-19-16-32;1-2-32-14-16-33(17-15-32)24-9-7-23(8-10-24)30-27-28-13-11-25(31-27)20-3-5-22(6-4-20)29-26(34)21-12-18-35-19-21;31-26(24-2-1-17-33-24)28-21-7-5-20(6-8-21)23-11-12-27-25(29-23)18-19-3-9-22(10-4-19)30-13-15-32-16-14-30;1-17(30)25-19-5-3-18(4-6-19)22-11-12-24-23(27-22)26-20-7-9-21(10-8-20)29-15-13-28(2)14-16-29/h1-18,24H,19-23H2,(H,37,42)(H,36,38,39);2-16H,17-20H2,1H3,(H,31,36)(H,30,32,33);3-12,25,34H,1-2,13-19H2,(H,29,35)(H,28,30,31);3-11,13,21H,2,12,14-19H2,1H3,(H,29,34)(H,28,30,31);1-12,17H,13-16,18H2,(H,28,31);3-12H,13-16H2,1-2H3,(H,25,30)(H,24,26,27)/t;;25-;;;/m..0.../s1
• InChIKey: HHSBCBBARXUDQW-MZOPTKEESA-N
• XLogP: 25.84
• TPSA: 520.02 Ų
• H-Bond Donors: 12
• H-Bond Acceptors: 40
• Rotatable Bonds: 40
• Heavy Atoms: 214
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2882.51
LogP ≤ 5	25.84
H-Bond Donors ≤ 5	12
H-Bond Acceptors ≤ 10	40

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-[4-(4-benzoylpiperazin-1-yl)anilino]pyrimidin-4-yl]phenyl]acetamide;N-[4-[2-[4-(4-ethylpiperazin-1-yl)anilino]pyrimidin-4-yl]phenyl]oxolane-3-carboxamide;(2S)-1-(2-hydroxyethyl)-N-[4-[2-(4-morpholin-4-ylanilino)pyrimidin-4-yl]phenyl]pyrrolidine-2-carboxamide;N-[4-[2-[4-(4-methylpiperazin-1-yl)anilino]pyrimidin-4-yl]phenyl]acetamide;N-[4-[2-[(4-morpholin-4-ylphenyl)methyl]pyrimidin-4-yl]phenyl]thiophene-2-carboxamide;2-phenyl-N-[4-[2-[4-[4-(pyridine-3-carbonyl)piperazin-1-yl]anilino]pyrimidin-4-yl]phenyl]acetamide?

The IUPAC name of N-[4-[2-[4-(4-benzoylpiperazin-1-yl)anilino]pyrimidin-4-yl]phenyl]acetamide;N-[4-[2-[4-(4-ethylpiperazin-1-yl)anilino]pyrimidin-4-yl]phenyl]oxolane-3-carboxamide;(2S)-1-(2-hydroxyethyl)-N-[4-[2-(4-morpholin-4-ylanilino)pyrimidin-4-yl]phenyl]pyrrolidine-2-carboxamide;N-[4-[2-[4-(4-methylpiperazin-1-yl)anilino]pyrimidin-4-yl]phenyl]acetamide;N-[4-[2-[(4-morpholin-4-ylphenyl)methyl]pyrimidin-4-yl]phenyl]thiophene-2-carboxamide;2-phenyl-N-[4-[2-[4-[4-(pyridine-3-carbonyl)piperazin-1-yl]anilino]pyrimidin-4-yl]phenyl]acetamide (CID 158482664) is N-[4-[2-[4-(4-benzoylpiperazin-1-yl)anilino]pyrimidin-4-yl]phenyl]acetamide;N-[4-[2-[4-(4-ethylpiperazin-1-yl)anilino]pyrimidin-4-yl]phenyl]oxolane-3-carboxamide;(2S)-1-(2-hydroxyethyl)-N-[4-[2-(4-morpholin-4-ylanilino)pyrimidin-4-yl]phenyl]pyrrolidine-2-carboxamide;N-[4-[2-[4-(4-methylpiperazin-1-yl)anilino]pyrimidin-4-yl]phenyl]acetamide;N-[4-[2-[(4-morpholin-4-ylphenyl)methyl]pyrimidin-4-yl]phenyl]thiophene-2-carboxamide;2-phenyl-N-[4-[2-[4-[4-(pyridine-3-carbonyl)piperazin-1-yl]anilino]pyrimidin-4-yl]phenyl]acetamide.

What is the SMILES notation for N-[4-[2-[4-(4-benzoylpiperazin-1-yl)anilino]pyrimidin-4-yl]phenyl]acetamide;N-[4-[2-[4-(4-ethylpiperazin-1-yl)anilino]pyrimidin-4-yl]phenyl]oxolane-3-carboxamide;(2S)-1-(2-hydroxyethyl)-N-[4-[2-(4-morpholin-4-ylanilino)pyrimidin-4-yl]phenyl]pyrrolidine-2-carboxamide;N-[4-[2-[4-(4-methylpiperazin-1-yl)anilino]pyrimidin-4-yl]phenyl]acetamide;N-[4-[2-[(4-morpholin-4-ylphenyl)methyl]pyrimidin-4-yl]phenyl]thiophene-2-carboxamide;2-phenyl-N-[4-[2-[4-[4-(pyridine-3-carbonyl)piperazin-1-yl]anilino]pyrimidin-4-yl]phenyl]acetamide?

The canonical SMILES for N-[4-[2-[4-(4-benzoylpiperazin-1-yl)anilino]pyrimidin-4-yl]phenyl]acetamide;N-[4-[2-[4-(4-ethylpiperazin-1-yl)anilino]pyrimidin-4-yl]phenyl]oxolane-3-carboxamide;(2S)-1-(2-hydroxyethyl)-N-[4-[2-(4-morpholin-4-ylanilino)pyrimidin-4-yl]phenyl]pyrrolidine-2-carboxamide;N-[4-[2-[4-(4-methylpiperazin-1-yl)anilino]pyrimidin-4-yl]phenyl]acetamide;N-[4-[2-[(4-morpholin-4-ylphenyl)methyl]pyrimidin-4-yl]phenyl]thiophene-2-carboxamide;2-phenyl-N-[4-[2-[4-[4-(pyridine-3-carbonyl)piperazin-1-yl]anilino]pyrimidin-4-yl]phenyl]acetamide is CC(=O)Nc1ccc(-c2ccnc(Nc3ccc(N4CCN(C(=O)c5ccccc5)CC4)cc3)n2)cc1.CC(=O)Nc1ccc(-c2ccnc(Nc3ccc(N4CCN(C)CC4)cc3)n2)cc1.CCN1CCN(c2ccc(Nc3nccc(-c4ccc(NC(=O)C5CCOC5)cc4)n3)cc2)CC1.O=C(Cc1ccccc1)Nc1ccc(-c2ccnc(Nc3ccc(N4CCN(C(=O)c5cccnc5)CC4)cc3)n2)cc1.O=C(Nc1ccc(-c2ccnc(Cc3ccc(N4CCOCC4)cc3)n2)cc1)c1cccs1.O=C(Nc1ccc(-c2ccnc(Nc3ccc(N4CCOCC4)cc3)n2)cc1)[C@@H]1CCCN1CCO.

What is the InChIKey of N-[4-[2-[4-(4-benzoylpiperazin-1-yl)anilino]pyrimidin-4-yl]phenyl]acetamide;N-[4-[2-[4-(4-ethylpiperazin-1-yl)anilino]pyrimidin-4-yl]phenyl]oxolane-3-carboxamide;(2S)-1-(2-hydroxyethyl)-N-[4-[2-(4-morpholin-4-ylanilino)pyrimidin-4-yl]phenyl]pyrrolidine-2-carboxamide;N-[4-[2-[4-(4-methylpiperazin-1-yl)anilino]pyrimidin-4-yl]phenyl]acetamide;N-[4-[2-[(4-morpholin-4-ylphenyl)methyl]pyrimidin-4-yl]phenyl]thiophene-2-carboxamide;2-phenyl-N-[4-[2-[4-[4-(pyridine-3-carbonyl)piperazin-1-yl]anilino]pyrimidin-4-yl]phenyl]acetamide?

The InChIKey is HHSBCBBARXUDQW-MZOPTKEESA-N. The full InChI is InChI=1S/C34H31N7O2.C29H28N6O2.C27H32N6O3.C27H32N6O2.C26H24N4O2S.C23H26N6O/c42-32(23-25-5-2-1-3-6-25)37-28-10-8-26(9-11-28)31-16-18-36-34(39-31)38-29-12-14-30(15-13-29)40-19-21-41(22-20-40)33(43)27-7-4-17-35-24-27;1-21(36)31-24-9-7-22(8-10-24)27-15-16-30-29(33-27)32-25-11-13-26(14-12-25)34-17-19-35(20-18-34)28(37)23-5-3-2-4-6-23;34-17-14-33-13-1-2-25(33)26(35)29-21-5-3-20(4-6-21)24-11-12-28-27(31-24)30-22-7-9-23(10-8-22)32-15-18-36-19-16-32;1-2-32-14-16-33(17-15-32)24-9-7-23(8-10-24)30-27-28-13-11-25(31-27)20-3-5-22(6-4-20)29-26(34)21-12-18-35-19-21;31-26(24-2-1-17-33-24)28-21-7-5-20(6-8-21)23-11-12-27-25(29-23)18-19-3-9-22(10-4-19)30-13-15-32-16-14-30;1-17(30)25-19-5-3-18(4-6-19)22-11-12-24-23(27-22)26-20-7-9-21(10-8-20)29-15-13-28(2)14-16-29/h1-18,24H,19-23H2,(H,37,42)(H,36,38,39);2-16H,17-20H2,1H3,(H,31,36)(H,30,32,33);3-12,25,34H,1-2,13-19H2,(H,29,35)(H,28,30,31);3-11,13,21H,2,12,14-19H2,1H3,(H,29,34)(H,28,30,31);1-12,17H,13-16,18H2,(H,28,31);3-12H,13-16H2,1-2H3,(H,25,30)(H,24,26,27)/t;;25-;;;/m..0.../s1.

What are the key properties of N-[4-[2-[4-(4-benzoylpiperazin-1-yl)anilino]pyrimidin-4-yl]phenyl]acetamide;N-[4-[2-[4-(4-ethylpiperazin-1-yl)anilino]pyrimidin-4-yl]phenyl]oxolane-3-carboxamide;(2S)-1-(2-hydroxyethyl)-N-[4-[2-(4-morpholin-4-ylanilino)pyrimidin-4-yl]phenyl]pyrrolidine-2-carboxamide;N-[4-[2-[4-(4-methylpiperazin-1-yl)anilino]pyrimidin-4-yl]phenyl]acetamide;N-[4-[2-[(4-morpholin-4-ylphenyl)methyl]pyrimidin-4-yl]phenyl]thiophene-2-carboxamide;2-phenyl-N-[4-[2-[4-[4-(pyridine-3-carbonyl)piperazin-1-yl]anilino]pyrimidin-4-yl]phenyl]acetamide?

N-[4-[2-[4-(4-benzoylpiperazin-1-yl)anilino]pyrimidin-4-yl]phenyl]acetamide;N-[4-[2-[4-(4-ethylpiperazin-1-yl)anilino]pyrimidin-4-yl]phenyl]oxolane-3-carboxamide;(2S)-1-(2-hydroxyethyl)-N-[4-[2-(4-morpholin-4-ylanilino)pyrimidin-4-yl]phenyl]pyrrolidine-2-carboxamide;N-[4-[2-[4-(4-methylpiperazin-1-yl)anilino]pyrimidin-4-yl]phenyl]acetamide;N-[4-[2-[(4-morpholin-4-ylphenyl)methyl]pyrimidin-4-yl]phenyl]thiophene-2-carboxamide;2-phenyl-N-[4-[2-[4-[4-(pyridine-3-carbonyl)piperazin-1-yl]anilino]pyrimidin-4-yl]phenyl]acetamide has a molecular weight of 2882.51 g/mol, XLogP of 25.84, 40 rotatable bonds, 12 hydrogen bond donors, and 40 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-[2-[4-(4-benzoylpiperazin-1-yl)anilino]pyrimidin-4-yl]phenyl]acetamide;N-[4-[2-[4-(4-ethylpiperazin-1-yl)anilino]pyrimidin-4-yl]phenyl]oxolane-3-carboxamide;(2S)-1-(2-hydroxyethyl)-N-[4-[2-(4-morpholin-4-ylanilino)pyrimidin-4-yl]phenyl]pyrrolidine-2-carboxamide;N-[4-[2-[4-(4-methylpiperazin-1-yl)anilino]pyrimidin-4-yl]phenyl]acetamide;N-[4-[2-[(4-morpholin-4-ylphenyl)methyl]pyrimidin-4-yl]phenyl]thiophene-2-carboxamide;2-phenyl-N-[4-[2-[4-[4-(pyridine-3-carbonyl)piperazin-1-yl]anilino]pyrimidin-4-yl]phenyl]acetamide is sourced from PubChem (CID 158482664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).