(2R)-2-amino-N-[4-[2-[4-(4-ethylpiperazin-1-yl)anilino]pyrimidin-4-yl]phenyl]propanamide;(2R)-2-amino-N-[4-[2-(4-morpholin-4-ylanilino)pyrimidin-4-yl]phenyl]-2-phenylacetamide;N-[4-[2-[4-[4-[2-(dimethylamino)acetyl]piperazin-1-yl]anilino]pyrimidin-4-yl]phenyl]acetamide;(2R)-2-(dimethylamino)-N-[4-[2-(4-morpholin-4-ylanilino)pyrimidin-4-yl]phenyl]propanamide;N-[4-[2-[4-(4-ethylpiperazin-1-yl)anilino]pyrimidin-4-yl]phenyl]-3-methoxypropanamide;2-(4-methoxyphenyl)-N-[4-[2-(4-morpholin-4-ylanilino)pyrimidin-4-yl]phenyl]acetamide

C159H181N37O12 — CID 157439989

About (2R)-2-amino-N-[4-[2-[4-(4-ethylpiperazin-1-yl)anilino]pyrimidin-4-yl]phenyl]propanamide;(2R)-2-amino-N-[4-[2-(4-morpholin-4-ylanilino)pyrimidin-4-yl]phenyl]-2-phenylacetamide;N-[4-[2-[4-[4-[2-(dimethylamino)acetyl]piperazin-1-yl]anilino]pyrimidin-4-yl]phenyl]acetamide;(2R)-2-(dimethylamino)-N-[4-[2-(4-morpholin-4-ylanilino)pyrimidin-4-yl]phenyl]propanamide;N-[4-[2-[4-(4-ethylpiperazin-1-yl)anilino]pyrimidin-4-yl]phenyl]-3-methoxypropanamide;2-(4-methoxyphenyl)-N-[4-[2-(4-morpholin-4-ylanilino)pyrimidin-4-yl]phenyl]acetamide

(2R)-2-amino-N-[4-[2-[4-(4-ethylpiperazin-1-yl)anilino]pyrimidin-4-yl]phenyl]propanamide;(2R)-2-amino-N-[4-[2-(4-morpholin-4-ylanilino)pyrimidin-4-yl]phenyl]-2-phenylacetamide;N-[4-[2-[4-[4-[2-(dimethylamino)acetyl]piperazin-1-yl]anilino]pyrimidin-4-yl]phenyl]acetamide;(2R)-2-(dimethylamino)-N-[4-[2-(4-morpholin-4-ylanilino)pyrimidin-4-yl]phenyl]propanamide;N-[4-[2-[4-(4-ethylpiperazin-1-yl)anilino]pyrimidin-4-yl]phenyl]-3-methoxypropanamide;2-(4-methoxyphenyl)-N-[4-[2-(4-morpholin-4-ylanilino)pyrimidin-4-yl]phenyl]acetamide (PubChem CID 157439989) has the molecular formula C159H181N37O12 and a molecular weight of 2802.44 g/mol. Its IUPAC name is (2R)-2-amino-N-[4-[2-[4-(4-ethylpiperazin-1-yl)anilino]pyrimidin-4-yl]phenyl]propanamide;(2R)-2-amino-N-[4-[2-(4-morpholin-4-ylanilino)pyrimidin-4-yl]phenyl]-2-phenylacetamide;N-[4-[2-[4-[4-[2-(dimethylamino)acetyl]piperazin-1-yl]anilino]pyrimidin-4-yl]phenyl]acetamide;(2R)-2-(dimethylamino)-N-[4-[2-(4-morpholin-4-ylanilino)pyrimidin-4-yl]phenyl]propanamide;N-[4-[2-[4-(4-ethylpiperazin-1-yl)anilino]pyrimidin-4-yl]phenyl]-3-methoxypropanamide;2-(4-methoxyphenyl)-N-[4-[2-(4-morpholin-4-ylanilino)pyrimidin-4-yl]phenyl]acetamide.

Molecular Properties

• Compound Name: (2R)-2-amino-N-[4-[2-[4-(4-ethylpiperazin-1-yl)anilino]pyrimidin-4-yl]phenyl]propanamide;(2R)-2-amino-N-[4-[2-(4-morpholin-4-ylanilino)pyrimidin-4-yl]phenyl]-2-phenylacetamide;N-[4-[2-[4-[4-[2-(dimethylamino)acetyl]piperazin-1-yl]anilino]pyrimidin-4-yl]phenyl]acetamide;(2R)-2-(dimethylamino)-N-[4-[2-(4-morpholin-4-ylanilino)pyrimidin-4-yl]phenyl]propanamide;N-[4-[2-[4-(4-ethylpiperazin-1-yl)anilino]pyrimidin-4-yl]phenyl]-3-methoxypropanamide;2-(4-methoxyphenyl)-N-[4-[2-(4-morpholin-4-ylanilino)pyrimidin-4-yl]phenyl]acetamide
• PubChem CID: 157439989
• Molecular Formula: C159H181N37O12
• Molecular Weight: 2802.44 g/mol
• Exact Mass: 2800.47
• IUPAC Name: (2R)-2-amino-N-[4-[2-[4-(4-ethylpiperazin-1-yl)anilino]pyrimidin-4-yl]phenyl]propanamide;(2R)-2-amino-N-[4-[2-(4-morpholin-4-ylanilino)pyrimidin-4-yl]phenyl]-2-phenylacetamide;N-[4-[2-[4-[4-[2-(dimethylamino)acetyl]piperazin-1-yl]anilino]pyrimidin-4-yl]phenyl]acetamide;(2R)-2-(dimethylamino)-N-[4-[2-(4-morpholin-4-ylanilino)pyrimidin-4-yl]phenyl]propanamide;N-[4-[2-[4-(4-ethylpiperazin-1-yl)anilino]pyrimidin-4-yl]phenyl]-3-methoxypropanamide;2-(4-methoxyphenyl)-N-[4-[2-(4-morpholin-4-ylanilino)pyrimidin-4-yl]phenyl]acetamide
• SMILES: CC(=O)Nc1ccc(-c2ccnc(Nc3ccc(N4CCN(C(=O)CN(C)C)CC4)cc3)n2)cc1.CCN1CCN(c2ccc(Nc3nccc(-c4ccc(NC(=O)CCOC)cc4)n3)cc2)CC1.CCN1CCN(c2ccc(Nc3nccc(-c4ccc(NC(=O)[C@@H](C)N)cc4)n3)cc2)CC1.COc1ccc(CC(=O)Nc2ccc(-c3ccnc(Nc4ccc(N5CCOCC5)cc4)n3)cc2)cc1.C[C@H](C(=O)Nc1ccc(-c2ccnc(Nc3ccc(N4CCOCC4)cc3)n2)cc1)N(C)C.N[C@@H](C(=O)Nc1ccc(-c2ccnc(Nc3ccc(N4CCOCC4)cc3)n2)cc1)c1ccccc1
• InChI: InChI=1S/C29H29N5O3.C28H28N6O2.C26H31N7O2.C26H32N6O2.C25H31N7O.C25H30N6O2/c1-36-26-12-2-21(3-13-26)20-28(35)31-23-6-4-22(5-7-23)27-14-15-30-29(33-27)32-24-8-10-25(11-9-24)34-16-18-37-19-17-34;29-26(21-4-2-1-3-5-21)27(35)31-22-8-6-20(7-9-22)25-14-15-30-28(33-25)32-23-10-12-24(13-11-23)34-16-18-36-19-17-34;1-19(34)28-21-6-4-20(5-7-21)24-12-13-27-26(30-24)29-22-8-10-23(11-9-22)32-14-16-33(17-15-32)25(35)18-31(2)3;1-3-31-15-17-32(18-16-31)23-10-8-22(9-11-23)29-26-27-14-12-24(30-26)20-4-6-21(7-5-20)28-25(33)13-19-34-2;1-3-31-14-16-32(17-15-31)22-10-8-21(9-11-22)29-25-27-13-12-23(30-25)19-4-6-20(7-5-19)28-24(33)18(2)26;1-18(30(2)3)24(32)27-20-6-4-19(5-7-20)23-12-13-26-25(29-23)28-21-8-10-22(11-9-21)31-14-16-33-17-15-31/h2-15H,16-20H2,1H3,(H,31,35)(H,30,32,33);1-15,26H,16-19,29H2,(H,31,35)(H,30,32,33);4-13H,14-18H2,1-3H3,(H,28,34)(H,27,29,30);4-12,14H,3,13,15-19H2,1-2H3,(H,28,33)(H,27,29,30);4-13,18H,3,14-17,26H2,1-2H3,(H,28,33)(H,27,29,30);4-13,18H,14-17H2,1-3H3,(H,27,32)(H,26,28,29)/t;26-;;;2*18-/m.1..11/s1
• InChIKey: BROBSDYRQOMUCN-SENWRZMBSA-N
• XLogP: 23.26
• TPSA: 552.36 Ų
• H-Bond Donors: 14
• H-Bond Acceptors: 42
• Rotatable Bonds: 45
• Heavy Atoms: 208
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2802.44
LogP ≤ 5	23.26
H-Bond Donors ≤ 5	14
H-Bond Acceptors ≤ 10	42

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-N-[4-[2-[4-(4-ethylpiperazin-1-yl)anilino]pyrimidin-4-yl]phenyl]propanamide;(2R)-2-amino-N-[4-[2-(4-morpholin-4-ylanilino)pyrimidin-4-yl]phenyl]-2-phenylacetamide;N-[4-[2-[4-[4-[2-(dimethylamino)acetyl]piperazin-1-yl]anilino]pyrimidin-4-yl]phenyl]acetamide;(2R)-2-(dimethylamino)-N-[4-[2-(4-morpholin-4-ylanilino)pyrimidin-4-yl]phenyl]propanamide;N-[4-[2-[4-(4-ethylpiperazin-1-yl)anilino]pyrimidin-4-yl]phenyl]-3-methoxypropanamide;2-(4-methoxyphenyl)-N-[4-[2-(4-morpholin-4-ylanilino)pyrimidin-4-yl]phenyl]acetamide?

The IUPAC name of (2R)-2-amino-N-[4-[2-[4-(4-ethylpiperazin-1-yl)anilino]pyrimidin-4-yl]phenyl]propanamide;(2R)-2-amino-N-[4-[2-(4-morpholin-4-ylanilino)pyrimidin-4-yl]phenyl]-2-phenylacetamide;N-[4-[2-[4-[4-[2-(dimethylamino)acetyl]piperazin-1-yl]anilino]pyrimidin-4-yl]phenyl]acetamide;(2R)-2-(dimethylamino)-N-[4-[2-(4-morpholin-4-ylanilino)pyrimidin-4-yl]phenyl]propanamide;N-[4-[2-[4-(4-ethylpiperazin-1-yl)anilino]pyrimidin-4-yl]phenyl]-3-methoxypropanamide;2-(4-methoxyphenyl)-N-[4-[2-(4-morpholin-4-ylanilino)pyrimidin-4-yl]phenyl]acetamide (CID 157439989) is (2R)-2-amino-N-[4-[2-[4-(4-ethylpiperazin-1-yl)anilino]pyrimidin-4-yl]phenyl]propanamide;(2R)-2-amino-N-[4-[2-(4-morpholin-4-ylanilino)pyrimidin-4-yl]phenyl]-2-phenylacetamide;N-[4-[2-[4-[4-[2-(dimethylamino)acetyl]piperazin-1-yl]anilino]pyrimidin-4-yl]phenyl]acetamide;(2R)-2-(dimethylamino)-N-[4-[2-(4-morpholin-4-ylanilino)pyrimidin-4-yl]phenyl]propanamide;N-[4-[2-[4-(4-ethylpiperazin-1-yl)anilino]pyrimidin-4-yl]phenyl]-3-methoxypropanamide;2-(4-methoxyphenyl)-N-[4-[2-(4-morpholin-4-ylanilino)pyrimidin-4-yl]phenyl]acetamide.

What is the SMILES notation for (2R)-2-amino-N-[4-[2-[4-(4-ethylpiperazin-1-yl)anilino]pyrimidin-4-yl]phenyl]propanamide;(2R)-2-amino-N-[4-[2-(4-morpholin-4-ylanilino)pyrimidin-4-yl]phenyl]-2-phenylacetamide;N-[4-[2-[4-[4-[2-(dimethylamino)acetyl]piperazin-1-yl]anilino]pyrimidin-4-yl]phenyl]acetamide;(2R)-2-(dimethylamino)-N-[4-[2-(4-morpholin-4-ylanilino)pyrimidin-4-yl]phenyl]propanamide;N-[4-[2-[4-(4-ethylpiperazin-1-yl)anilino]pyrimidin-4-yl]phenyl]-3-methoxypropanamide;2-(4-methoxyphenyl)-N-[4-[2-(4-morpholin-4-ylanilino)pyrimidin-4-yl]phenyl]acetamide?

The canonical SMILES for (2R)-2-amino-N-[4-[2-[4-(4-ethylpiperazin-1-yl)anilino]pyrimidin-4-yl]phenyl]propanamide;(2R)-2-amino-N-[4-[2-(4-morpholin-4-ylanilino)pyrimidin-4-yl]phenyl]-2-phenylacetamide;N-[4-[2-[4-[4-[2-(dimethylamino)acetyl]piperazin-1-yl]anilino]pyrimidin-4-yl]phenyl]acetamide;(2R)-2-(dimethylamino)-N-[4-[2-(4-morpholin-4-ylanilino)pyrimidin-4-yl]phenyl]propanamide;N-[4-[2-[4-(4-ethylpiperazin-1-yl)anilino]pyrimidin-4-yl]phenyl]-3-methoxypropanamide;2-(4-methoxyphenyl)-N-[4-[2-(4-morpholin-4-ylanilino)pyrimidin-4-yl]phenyl]acetamide is CC(=O)Nc1ccc(-c2ccnc(Nc3ccc(N4CCN(C(=O)CN(C)C)CC4)cc3)n2)cc1.CCN1CCN(c2ccc(Nc3nccc(-c4ccc(NC(=O)CCOC)cc4)n3)cc2)CC1.CCN1CCN(c2ccc(Nc3nccc(-c4ccc(NC(=O)[C@@H](C)N)cc4)n3)cc2)CC1.COc1ccc(CC(=O)Nc2ccc(-c3ccnc(Nc4ccc(N5CCOCC5)cc4)n3)cc2)cc1.C[C@H](C(=O)Nc1ccc(-c2ccnc(Nc3ccc(N4CCOCC4)cc3)n2)cc1)N(C)C.N[C@@H](C(=O)Nc1ccc(-c2ccnc(Nc3ccc(N4CCOCC4)cc3)n2)cc1)c1ccccc1.

What is the InChIKey of (2R)-2-amino-N-[4-[2-[4-(4-ethylpiperazin-1-yl)anilino]pyrimidin-4-yl]phenyl]propanamide;(2R)-2-amino-N-[4-[2-(4-morpholin-4-ylanilino)pyrimidin-4-yl]phenyl]-2-phenylacetamide;N-[4-[2-[4-[4-[2-(dimethylamino)acetyl]piperazin-1-yl]anilino]pyrimidin-4-yl]phenyl]acetamide;(2R)-2-(dimethylamino)-N-[4-[2-(4-morpholin-4-ylanilino)pyrimidin-4-yl]phenyl]propanamide;N-[4-[2-[4-(4-ethylpiperazin-1-yl)anilino]pyrimidin-4-yl]phenyl]-3-methoxypropanamide;2-(4-methoxyphenyl)-N-[4-[2-(4-morpholin-4-ylanilino)pyrimidin-4-yl]phenyl]acetamide?

The InChIKey is BROBSDYRQOMUCN-SENWRZMBSA-N. The full InChI is InChI=1S/C29H29N5O3.C28H28N6O2.C26H31N7O2.C26H32N6O2.C25H31N7O.C25H30N6O2/c1-36-26-12-2-21(3-13-26)20-28(35)31-23-6-4-22(5-7-23)27-14-15-30-29(33-27)32-24-8-10-25(11-9-24)34-16-18-37-19-17-34;29-26(21-4-2-1-3-5-21)27(35)31-22-8-6-20(7-9-22)25-14-15-30-28(33-25)32-23-10-12-24(13-11-23)34-16-18-36-19-17-34;1-19(34)28-21-6-4-20(5-7-21)24-12-13-27-26(30-24)29-22-8-10-23(11-9-22)32-14-16-33(17-15-32)25(35)18-31(2)3;1-3-31-15-17-32(18-16-31)23-10-8-22(9-11-23)29-26-27-14-12-24(30-26)20-4-6-21(7-5-20)28-25(33)13-19-34-2;1-3-31-14-16-32(17-15-31)22-10-8-21(9-11-22)29-25-27-13-12-23(30-25)19-4-6-20(7-5-19)28-24(33)18(2)26;1-18(30(2)3)24(32)27-20-6-4-19(5-7-20)23-12-13-26-25(29-23)28-21-8-10-22(11-9-21)31-14-16-33-17-15-31/h2-15H,16-20H2,1H3,(H,31,35)(H,30,32,33);1-15,26H,16-19,29H2,(H,31,35)(H,30,32,33);4-13H,14-18H2,1-3H3,(H,28,34)(H,27,29,30);4-12,14H,3,13,15-19H2,1-2H3,(H,28,33)(H,27,29,30);4-13,18H,3,14-17,26H2,1-2H3,(H,28,33)(H,27,29,30);4-13,18H,14-17H2,1-3H3,(H,27,32)(H,26,28,29)/t;26-;;;2*18-/m.1..11/s1.

What are the key properties of (2R)-2-amino-N-[4-[2-[4-(4-ethylpiperazin-1-yl)anilino]pyrimidin-4-yl]phenyl]propanamide;(2R)-2-amino-N-[4-[2-(4-morpholin-4-ylanilino)pyrimidin-4-yl]phenyl]-2-phenylacetamide;N-[4-[2-[4-[4-[2-(dimethylamino)acetyl]piperazin-1-yl]anilino]pyrimidin-4-yl]phenyl]acetamide;(2R)-2-(dimethylamino)-N-[4-[2-(4-morpholin-4-ylanilino)pyrimidin-4-yl]phenyl]propanamide;N-[4-[2-[4-(4-ethylpiperazin-1-yl)anilino]pyrimidin-4-yl]phenyl]-3-methoxypropanamide;2-(4-methoxyphenyl)-N-[4-[2-(4-morpholin-4-ylanilino)pyrimidin-4-yl]phenyl]acetamide?

(2R)-2-amino-N-[4-[2-[4-(4-ethylpiperazin-1-yl)anilino]pyrimidin-4-yl]phenyl]propanamide;(2R)-2-amino-N-[4-[2-(4-morpholin-4-ylanilino)pyrimidin-4-yl]phenyl]-2-phenylacetamide;N-[4-[2-[4-[4-[2-(dimethylamino)acetyl]piperazin-1-yl]anilino]pyrimidin-4-yl]phenyl]acetamide;(2R)-2-(dimethylamino)-N-[4-[2-(4-morpholin-4-ylanilino)pyrimidin-4-yl]phenyl]propanamide;N-[4-[2-[4-(4-ethylpiperazin-1-yl)anilino]pyrimidin-4-yl]phenyl]-3-methoxypropanamide;2-(4-methoxyphenyl)-N-[4-[2-(4-morpholin-4-ylanilino)pyrimidin-4-yl]phenyl]acetamide has a molecular weight of 2802.44 g/mol, XLogP of 23.26, 45 rotatable bonds, 14 hydrogen bond donors, and 42 hydrogen bond acceptors.

Where does this data come from?

All data for (2R)-2-amino-N-[4-[2-[4-(4-ethylpiperazin-1-yl)anilino]pyrimidin-4-yl]phenyl]propanamide;(2R)-2-amino-N-[4-[2-(4-morpholin-4-ylanilino)pyrimidin-4-yl]phenyl]-2-phenylacetamide;N-[4-[2-[4-[4-[2-(dimethylamino)acetyl]piperazin-1-yl]anilino]pyrimidin-4-yl]phenyl]acetamide;(2R)-2-(dimethylamino)-N-[4-[2-(4-morpholin-4-ylanilino)pyrimidin-4-yl]phenyl]propanamide;N-[4-[2-[4-(4-ethylpiperazin-1-yl)anilino]pyrimidin-4-yl]phenyl]-3-methoxypropanamide;2-(4-methoxyphenyl)-N-[4-[2-(4-morpholin-4-ylanilino)pyrimidin-4-yl]phenyl]acetamide is sourced from PubChem (CID 157439989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).