4-[4-[[4-(4-acetamidophenyl)pyrimidin-2-yl]amino]phenyl]-N-ethylpiperazine-1-carboxamide;N-[4-[2-[3-[(3-fluorophenyl)methylamino]anilino]pyrimidin-4-yl]phenyl]acetamide;N-[4-[2-[3-[(4-fluorophenyl)methylamino]anilino]pyrimidin-4-yl]phenyl]acetamide;N-[4-[2-(1H-indazol-6-ylamino)-5-methylpyrimidin-4-yl]phenyl]acetamide;N-[4-[2-(1H-indol-5-ylamino)-5-methylpyrimidin-4-yl]phenyl]acetamide;N-[4-[2-[4-(morpholin-4-ylmethyl)anilino]pyrimidin-4-yl]phenyl]acetamide;N-[4-[2-[4-[4-(1H-pyrrol-2-ylmethyl)piperazin-1-yl]anilino]pyrimidin-4-yl]phenyl]acetamide

C166H164F2N40O9 — CID 158813413

About 4-[4-[[4-(4-acetamidophenyl)pyrimidin-2-yl]amino]phenyl]-N-ethylpiperazine-1-carboxamide;N-[4-[2-[3-[(3-fluorophenyl)methylamino]anilino]pyrimidin-4-yl]phenyl]acetamide;N-[4-[2-[3-[(4-fluorophenyl)methylamino]anilino]pyrimidin-4-yl]phenyl]acetamide;N-[4-[2-(1H-indazol-6-ylamino)-5-methylpyrimidin-4-yl]phenyl]acetamide;N-[4-[2-(1H-indol-5-ylamino)-5-methylpyrimidin-4-yl]phenyl]acetamide;N-[4-[2-[4-(morpholin-4-ylmethyl)anilino]pyrimidin-4-yl]phenyl]acetamide;N-[4-[2-[4-[4-(1H-pyrrol-2-ylmethyl)piperazin-1-yl]anilino]pyrimidin-4-yl]phenyl]acetamide

4-[4-[[4-(4-acetamidophenyl)pyrimidin-2-yl]amino]phenyl]-N-ethylpiperazine-1-carboxamide;N-[4-[2-[3-[(3-fluorophenyl)methylamino]anilino]pyrimidin-4-yl]phenyl]acetamide;N-[4-[2-[3-[(4-fluorophenyl)methylamino]anilino]pyrimidin-4-yl]phenyl]acetamide;N-[4-[2-(1H-indazol-6-ylamino)-5-methylpyrimidin-4-yl]phenyl]acetamide;N-[4-[2-(1H-indol-5-ylamino)-5-methylpyrimidin-4-yl]phenyl]acetamide;N-[4-[2-[4-(morpholin-4-ylmethyl)anilino]pyrimidin-4-yl]phenyl]acetamide;N-[4-[2-[4-[4-(1H-pyrrol-2-ylmethyl)piperazin-1-yl]anilino]pyrimidin-4-yl]phenyl]acetamide (PubChem CID 158813413) has the molecular formula C166H164F2N40O9 and a molecular weight of 2901.40 g/mol. Its IUPAC name is 4-[4-[[4-(4-acetamidophenyl)pyrimidin-2-yl]amino]phenyl]-N-ethylpiperazine-1-carboxamide;N-[4-[2-[3-[(3-fluorophenyl)methylamino]anilino]pyrimidin-4-yl]phenyl]acetamide;N-[4-[2-[3-[(4-fluorophenyl)methylamino]anilino]pyrimidin-4-yl]phenyl]acetamide;N-[4-[2-(1H-indazol-6-ylamino)-5-methylpyrimidin-4-yl]phenyl]acetamide;N-[4-[2-(1H-indol-5-ylamino)-5-methylpyrimidin-4-yl]phenyl]acetamide;N-[4-[2-[4-(morpholin-4-ylmethyl)anilino]pyrimidin-4-yl]phenyl]acetamide;N-[4-[2-[4-[4-(1H-pyrrol-2-ylmethyl)piperazin-1-yl]anilino]pyrimidin-4-yl]phenyl]acetamide.

Molecular Properties

• Compound Name: 4-[4-[[4-(4-acetamidophenyl)pyrimidin-2-yl]amino]phenyl]-N-ethylpiperazine-1-carboxamide;N-[4-[2-[3-[(3-fluorophenyl)methylamino]anilino]pyrimidin-4-yl]phenyl]acetamide;N-[4-[2-[3-[(4-fluorophenyl)methylamino]anilino]pyrimidin-4-yl]phenyl]acetamide;N-[4-[2-(1H-indazol-6-ylamino)-5-methylpyrimidin-4-yl]phenyl]acetamide;N-[4-[2-(1H-indol-5-ylamino)-5-methylpyrimidin-4-yl]phenyl]acetamide;N-[4-[2-[4-(morpholin-4-ylmethyl)anilino]pyrimidin-4-yl]phenyl]acetamide;N-[4-[2-[4-[4-(1H-pyrrol-2-ylmethyl)piperazin-1-yl]anilino]pyrimidin-4-yl]phenyl]acetamide
• PubChem CID: 158813413
• Molecular Formula: C166H164F2N40O9
• Molecular Weight: 2901.40 g/mol
• Exact Mass: 2899.36
• IUPAC Name: 4-[4-[[4-(4-acetamidophenyl)pyrimidin-2-yl]amino]phenyl]-N-ethylpiperazine-1-carboxamide;N-[4-[2-[3-[(3-fluorophenyl)methylamino]anilino]pyrimidin-4-yl]phenyl]acetamide;N-[4-[2-[3-[(4-fluorophenyl)methylamino]anilino]pyrimidin-4-yl]phenyl]acetamide;N-[4-[2-(1H-indazol-6-ylamino)-5-methylpyrimidin-4-yl]phenyl]acetamide;N-[4-[2-(1H-indol-5-ylamino)-5-methylpyrimidin-4-yl]phenyl]acetamide;N-[4-[2-[4-(morpholin-4-ylmethyl)anilino]pyrimidin-4-yl]phenyl]acetamide;N-[4-[2-[4-[4-(1H-pyrrol-2-ylmethyl)piperazin-1-yl]anilino]pyrimidin-4-yl]phenyl]acetamide
• SMILES: CC(=O)Nc1ccc(-c2ccnc(Nc3ccc(CN4CCOCC4)cc3)n2)cc1.CC(=O)Nc1ccc(-c2ccnc(Nc3ccc(N4CCN(Cc5ccc[nH]5)CC4)cc3)n2)cc1.CC(=O)Nc1ccc(-c2ccnc(Nc3cccc(NCc4ccc(F)cc4)c3)n2)cc1.CC(=O)Nc1ccc(-c2ccnc(Nc3cccc(NCc4cccc(F)c4)c3)n2)cc1.CC(=O)Nc1ccc(-c2nc(Nc3ccc4[nH]ccc4c3)ncc2C)cc1.CC(=O)Nc1ccc(-c2nc(Nc3ccc4cn[nH]c4c3)ncc2C)cc1.CCNC(=O)N1CCN(c2ccc(Nc3nccc(-c4ccc(NC(C)=O)cc4)n3)cc2)CC1
• InChI: InChI=1S/C27H29N7O.2C25H22FN5O.C25H29N7O2.C23H25N5O2.C21H19N5O.C20H18N6O/c1-20(35)30-22-6-4-21(5-7-22)26-12-14-29-27(32-26)31-23-8-10-25(11-9-23)34-17-15-33(16-18-34)19-24-3-2-13-28-24;1-17(32)29-21-10-8-19(9-11-21)24-12-13-27-25(31-24)30-23-7-3-6-22(15-23)28-16-18-4-2-5-20(26)14-18;1-17(32)29-21-11-7-19(8-12-21)24-13-14-27-25(31-24)30-23-4-2-3-22(15-23)28-16-18-5-9-20(26)10-6-18;1-3-26-25(34)32-16-14-31(15-17-32)22-10-8-21(9-11-22)29-24-27-13-12-23(30-24)19-4-6-20(7-5-19)28-18(2)33;1-17(29)25-20-8-4-19(5-9-20)22-10-11-24-23(27-22)26-21-6-2-18(3-7-21)16-28-12-14-30-15-13-28;1-13-12-23-21(25-18-7-8-19-16(11-18)9-10-22-19)26-20(13)15-3-5-17(6-4-15)24-14(2)27;1-12-10-21-20(24-17-8-5-15-11-22-26-18(15)9-17)25-19(12)14-3-6-16(7-4-14)23-13(2)27/h2-14,28H,15-19H2,1H3,(H,30,35)(H,29,31,32);2*2-15,28H,16H2,1H3,(H,29,32)(H,27,30,31);4-13H,3,14-17H2,1-2H3,(H,26,34)(H,28,33)(H,27,29,30);2-11H,12-16H2,1H3,(H,25,29)(H,24,26,27);3-12,22H,1-2H3,(H,24,27)(H,23,25,26);3-11H,1-2H3,(H,22,26)(H,23,27)(H,21,24,25)
• InChIKey: IUYTZDWJTXQRAB-UHFFFAOYSA-N
• XLogP: 31.73
• TPSA: 607.22 Ų
• H-Bond Donors: 20
• H-Bond Acceptors: 37
• Rotatable Bonds: 41
• Heavy Atoms: 217
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2901.40
LogP ≤ 5	31.73
H-Bond Donors ≤ 5	20
H-Bond Acceptors ≤ 10	37

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 4-[4-[[4-(4-acetamidophenyl)pyrimidin-2-yl]amino]phenyl]-N-ethylpiperazine-1-carboxamide;N-[4-[2-[3-[(3-fluorophenyl)methylamino]anilino]pyrimidin-4-yl]phenyl]acetamide;N-[4-[2-[3-[(4-fluorophenyl)methylamino]anilino]pyrimidin-4-yl]phenyl]acetamide;N-[4-[2-(1H-indazol-6-ylamino)-5-methylpyrimidin-4-yl]phenyl]acetamide;N-[4-[2-(1H-indol-5-ylamino)-5-methylpyrimidin-4-yl]phenyl]acetamide;N-[4-[2-[4-(morpholin-4-ylmethyl)anilino]pyrimidin-4-yl]phenyl]acetamide;N-[4-[2-[4-[4-(1H-pyrrol-2-ylmethyl)piperazin-1-yl]anilino]pyrimidin-4-yl]phenyl]acetamide?

The IUPAC name of 4-[4-[[4-(4-acetamidophenyl)pyrimidin-2-yl]amino]phenyl]-N-ethylpiperazine-1-carboxamide;N-[4-[2-[3-[(3-fluorophenyl)methylamino]anilino]pyrimidin-4-yl]phenyl]acetamide;N-[4-[2-[3-[(4-fluorophenyl)methylamino]anilino]pyrimidin-4-yl]phenyl]acetamide;N-[4-[2-(1H-indazol-6-ylamino)-5-methylpyrimidin-4-yl]phenyl]acetamide;N-[4-[2-(1H-indol-5-ylamino)-5-methylpyrimidin-4-yl]phenyl]acetamide;N-[4-[2-[4-(morpholin-4-ylmethyl)anilino]pyrimidin-4-yl]phenyl]acetamide;N-[4-[2-[4-[4-(1H-pyrrol-2-ylmethyl)piperazin-1-yl]anilino]pyrimidin-4-yl]phenyl]acetamide (CID 158813413) is 4-[4-[[4-(4-acetamidophenyl)pyrimidin-2-yl]amino]phenyl]-N-ethylpiperazine-1-carboxamide;N-[4-[2-[3-[(3-fluorophenyl)methylamino]anilino]pyrimidin-4-yl]phenyl]acetamide;N-[4-[2-[3-[(4-fluorophenyl)methylamino]anilino]pyrimidin-4-yl]phenyl]acetamide;N-[4-[2-(1H-indazol-6-ylamino)-5-methylpyrimidin-4-yl]phenyl]acetamide;N-[4-[2-(1H-indol-5-ylamino)-5-methylpyrimidin-4-yl]phenyl]acetamide;N-[4-[2-[4-(morpholin-4-ylmethyl)anilino]pyrimidin-4-yl]phenyl]acetamide;N-[4-[2-[4-[4-(1H-pyrrol-2-ylmethyl)piperazin-1-yl]anilino]pyrimidin-4-yl]phenyl]acetamide.

What is the SMILES notation for 4-[4-[[4-(4-acetamidophenyl)pyrimidin-2-yl]amino]phenyl]-N-ethylpiperazine-1-carboxamide;N-[4-[2-[3-[(3-fluorophenyl)methylamino]anilino]pyrimidin-4-yl]phenyl]acetamide;N-[4-[2-[3-[(4-fluorophenyl)methylamino]anilino]pyrimidin-4-yl]phenyl]acetamide;N-[4-[2-(1H-indazol-6-ylamino)-5-methylpyrimidin-4-yl]phenyl]acetamide;N-[4-[2-(1H-indol-5-ylamino)-5-methylpyrimidin-4-yl]phenyl]acetamide;N-[4-[2-[4-(morpholin-4-ylmethyl)anilino]pyrimidin-4-yl]phenyl]acetamide;N-[4-[2-[4-[4-(1H-pyrrol-2-ylmethyl)piperazin-1-yl]anilino]pyrimidin-4-yl]phenyl]acetamide?

The canonical SMILES for 4-[4-[[4-(4-acetamidophenyl)pyrimidin-2-yl]amino]phenyl]-N-ethylpiperazine-1-carboxamide;N-[4-[2-[3-[(3-fluorophenyl)methylamino]anilino]pyrimidin-4-yl]phenyl]acetamide;N-[4-[2-[3-[(4-fluorophenyl)methylamino]anilino]pyrimidin-4-yl]phenyl]acetamide;N-[4-[2-(1H-indazol-6-ylamino)-5-methylpyrimidin-4-yl]phenyl]acetamide;N-[4-[2-(1H-indol-5-ylamino)-5-methylpyrimidin-4-yl]phenyl]acetamide;N-[4-[2-[4-(morpholin-4-ylmethyl)anilino]pyrimidin-4-yl]phenyl]acetamide;N-[4-[2-[4-[4-(1H-pyrrol-2-ylmethyl)piperazin-1-yl]anilino]pyrimidin-4-yl]phenyl]acetamide is CC(=O)Nc1ccc(-c2ccnc(Nc3ccc(CN4CCOCC4)cc3)n2)cc1.CC(=O)Nc1ccc(-c2ccnc(Nc3ccc(N4CCN(Cc5ccc[nH]5)CC4)cc3)n2)cc1.CC(=O)Nc1ccc(-c2ccnc(Nc3cccc(NCc4ccc(F)cc4)c3)n2)cc1.CC(=O)Nc1ccc(-c2ccnc(Nc3cccc(NCc4cccc(F)c4)c3)n2)cc1.CC(=O)Nc1ccc(-c2nc(Nc3ccc4[nH]ccc4c3)ncc2C)cc1.CC(=O)Nc1ccc(-c2nc(Nc3ccc4cn[nH]c4c3)ncc2C)cc1.CCNC(=O)N1CCN(c2ccc(Nc3nccc(-c4ccc(NC(C)=O)cc4)n3)cc2)CC1.

What is the InChIKey of 4-[4-[[4-(4-acetamidophenyl)pyrimidin-2-yl]amino]phenyl]-N-ethylpiperazine-1-carboxamide;N-[4-[2-[3-[(3-fluorophenyl)methylamino]anilino]pyrimidin-4-yl]phenyl]acetamide;N-[4-[2-[3-[(4-fluorophenyl)methylamino]anilino]pyrimidin-4-yl]phenyl]acetamide;N-[4-[2-(1H-indazol-6-ylamino)-5-methylpyrimidin-4-yl]phenyl]acetamide;N-[4-[2-(1H-indol-5-ylamino)-5-methylpyrimidin-4-yl]phenyl]acetamide;N-[4-[2-[4-(morpholin-4-ylmethyl)anilino]pyrimidin-4-yl]phenyl]acetamide;N-[4-[2-[4-[4-(1H-pyrrol-2-ylmethyl)piperazin-1-yl]anilino]pyrimidin-4-yl]phenyl]acetamide?

The InChIKey is IUYTZDWJTXQRAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H29N7O.2C25H22FN5O.C25H29N7O2.C23H25N5O2.C21H19N5O.C20H18N6O/c1-20(35)30-22-6-4-21(5-7-22)26-12-14-29-27(32-26)31-23-8-10-25(11-9-23)34-17-15-33(16-18-34)19-24-3-2-13-28-24;1-17(32)29-21-10-8-19(9-11-21)24-12-13-27-25(31-24)30-23-7-3-6-22(15-23)28-16-18-4-2-5-20(26)14-18;1-17(32)29-21-11-7-19(8-12-21)24-13-14-27-25(31-24)30-23-4-2-3-22(15-23)28-16-18-5-9-20(26)10-6-18;1-3-26-25(34)32-16-14-31(15-17-32)22-10-8-21(9-11-22)29-24-27-13-12-23(30-24)19-4-6-20(7-5-19)28-18(2)33;1-17(29)25-20-8-4-19(5-9-20)22-10-11-24-23(27-22)26-21-6-2-18(3-7-21)16-28-12-14-30-15-13-28;1-13-12-23-21(25-18-7-8-19-16(11-18)9-10-22-19)26-20(13)15-3-5-17(6-4-15)24-14(2)27;1-12-10-21-20(24-17-8-5-15-11-22-26-18(15)9-17)25-19(12)14-3-6-16(7-4-14)23-13(2)27/h2-14,28H,15-19H2,1H3,(H,30,35)(H,29,31,32);2*2-15,28H,16H2,1H3,(H,29,32)(H,27,30,31);4-13H,3,14-17H2,1-2H3,(H,26,34)(H,28,33)(H,27,29,30);2-11H,12-16H2,1H3,(H,25,29)(H,24,26,27);3-12,22H,1-2H3,(H,24,27)(H,23,25,26);3-11H,1-2H3,(H,22,26)(H,23,27)(H,21,24,25).

What are the key properties of 4-[4-[[4-(4-acetamidophenyl)pyrimidin-2-yl]amino]phenyl]-N-ethylpiperazine-1-carboxamide;N-[4-[2-[3-[(3-fluorophenyl)methylamino]anilino]pyrimidin-4-yl]phenyl]acetamide;N-[4-[2-[3-[(4-fluorophenyl)methylamino]anilino]pyrimidin-4-yl]phenyl]acetamide;N-[4-[2-(1H-indazol-6-ylamino)-5-methylpyrimidin-4-yl]phenyl]acetamide;N-[4-[2-(1H-indol-5-ylamino)-5-methylpyrimidin-4-yl]phenyl]acetamide;N-[4-[2-[4-(morpholin-4-ylmethyl)anilino]pyrimidin-4-yl]phenyl]acetamide;N-[4-[2-[4-[4-(1H-pyrrol-2-ylmethyl)piperazin-1-yl]anilino]pyrimidin-4-yl]phenyl]acetamide?

4-[4-[[4-(4-acetamidophenyl)pyrimidin-2-yl]amino]phenyl]-N-ethylpiperazine-1-carboxamide;N-[4-[2-[3-[(3-fluorophenyl)methylamino]anilino]pyrimidin-4-yl]phenyl]acetamide;N-[4-[2-[3-[(4-fluorophenyl)methylamino]anilino]pyrimidin-4-yl]phenyl]acetamide;N-[4-[2-(1H-indazol-6-ylamino)-5-methylpyrimidin-4-yl]phenyl]acetamide;N-[4-[2-(1H-indol-5-ylamino)-5-methylpyrimidin-4-yl]phenyl]acetamide;N-[4-[2-[4-(morpholin-4-ylmethyl)anilino]pyrimidin-4-yl]phenyl]acetamide;N-[4-[2-[4-[4-(1H-pyrrol-2-ylmethyl)piperazin-1-yl]anilino]pyrimidin-4-yl]phenyl]acetamide has a molecular weight of 2901.40 g/mol, XLogP of 31.73, 41 rotatable bonds, 20 hydrogen bond donors, and 37 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[4-[[4-(4-acetamidophenyl)pyrimidin-2-yl]amino]phenyl]-N-ethylpiperazine-1-carboxamide;N-[4-[2-[3-[(3-fluorophenyl)methylamino]anilino]pyrimidin-4-yl]phenyl]acetamide;N-[4-[2-[3-[(4-fluorophenyl)methylamino]anilino]pyrimidin-4-yl]phenyl]acetamide;N-[4-[2-(1H-indazol-6-ylamino)-5-methylpyrimidin-4-yl]phenyl]acetamide;N-[4-[2-(1H-indol-5-ylamino)-5-methylpyrimidin-4-yl]phenyl]acetamide;N-[4-[2-[4-(morpholin-4-ylmethyl)anilino]pyrimidin-4-yl]phenyl]acetamide;N-[4-[2-[4-[4-(1H-pyrrol-2-ylmethyl)piperazin-1-yl]anilino]pyrimidin-4-yl]phenyl]acetamide is sourced from PubChem (CID 158813413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).