(2S)-2-amino-3-methoxy-N-[4-[2-(4-morpholin-4-ylanilino)pyrimidin-4-yl]phenyl]propanamide;(2R)-N-[4-[2-(3-methoxy-4-morpholin-4-ylanilino)pyrimidin-4-yl]phenyl]pyrrolidine-2-carboxamide;N-[4-[2-(4-morpholin-4-ylanilino)pyrimidin-4-yl]phenyl]pyridine-4-carboxamide;N-[4-[2-(4-morpholin-4-ylanilino)pyrimidin-4-yl]phenyl]-2-pyridin-3-ylacetamide;(2R)-N-[4-[2-(4-morpholin-4-ylanilino)pyrimidin-4-yl]phenyl]pyrrolidine-2-carboxamide

C128H136N30O12 — CID 159815953

About (2S)-2-amino-3-methoxy-N-[4-[2-(4-morpholin-4-ylanilino)pyrimidin-4-yl]phenyl]propanamide;(2R)-N-[4-[2-(3-methoxy-4-morpholin-4-ylanilino)pyrimidin-4-yl]phenyl]pyrrolidine-2-carboxamide;N-[4-[2-(4-morpholin-4-ylanilino)pyrimidin-4-yl]phenyl]pyridine-4-carboxamide;N-[4-[2-(4-morpholin-4-ylanilino)pyrimidin-4-yl]phenyl]-2-pyridin-3-ylacetamide;(2R)-N-[4-[2-(4-morpholin-4-ylanilino)pyrimidin-4-yl]phenyl]pyrrolidine-2-carboxamide

(2S)-2-amino-3-methoxy-N-[4-[2-(4-morpholin-4-ylanilino)pyrimidin-4-yl]phenyl]propanamide;(2R)-N-[4-[2-(3-methoxy-4-morpholin-4-ylanilino)pyrimidin-4-yl]phenyl]pyrrolidine-2-carboxamide;N-[4-[2-(4-morpholin-4-ylanilino)pyrimidin-4-yl]phenyl]pyridine-4-carboxamide;N-[4-[2-(4-morpholin-4-ylanilino)pyrimidin-4-yl]phenyl]-2-pyridin-3-ylacetamide;(2R)-N-[4-[2-(4-morpholin-4-ylanilino)pyrimidin-4-yl]phenyl]pyrrolidine-2-carboxamide (PubChem CID 159815953) has the molecular formula C128H136N30O12 and a molecular weight of 2286.69 g/mol. Its IUPAC name is (2S)-2-amino-3-methoxy-N-[4-[2-(4-morpholin-4-ylanilino)pyrimidin-4-yl]phenyl]propanamide;(2R)-N-[4-[2-(3-methoxy-4-morpholin-4-ylanilino)pyrimidin-4-yl]phenyl]pyrrolidine-2-carboxamide;N-[4-[2-(4-morpholin-4-ylanilino)pyrimidin-4-yl]phenyl]pyridine-4-carboxamide;N-[4-[2-(4-morpholin-4-ylanilino)pyrimidin-4-yl]phenyl]-2-pyridin-3-ylacetamide;(2R)-N-[4-[2-(4-morpholin-4-ylanilino)pyrimidin-4-yl]phenyl]pyrrolidine-2-carboxamide.

Molecular Properties

• Compound Name: (2S)-2-amino-3-methoxy-N-[4-[2-(4-morpholin-4-ylanilino)pyrimidin-4-yl]phenyl]propanamide;(2R)-N-[4-[2-(3-methoxy-4-morpholin-4-ylanilino)pyrimidin-4-yl]phenyl]pyrrolidine-2-carboxamide;N-[4-[2-(4-morpholin-4-ylanilino)pyrimidin-4-yl]phenyl]pyridine-4-carboxamide;N-[4-[2-(4-morpholin-4-ylanilino)pyrimidin-4-yl]phenyl]-2-pyridin-3-ylacetamide;(2R)-N-[4-[2-(4-morpholin-4-ylanilino)pyrimidin-4-yl]phenyl]pyrrolidine-2-carboxamide
• PubChem CID: 159815953
• Molecular Formula: C128H136N30O12
• Molecular Weight: 2286.69 g/mol
• Exact Mass: 2285.10
• IUPAC Name: (2S)-2-amino-3-methoxy-N-[4-[2-(4-morpholin-4-ylanilino)pyrimidin-4-yl]phenyl]propanamide;(2R)-N-[4-[2-(3-methoxy-4-morpholin-4-ylanilino)pyrimidin-4-yl]phenyl]pyrrolidine-2-carboxamide;N-[4-[2-(4-morpholin-4-ylanilino)pyrimidin-4-yl]phenyl]pyridine-4-carboxamide;N-[4-[2-(4-morpholin-4-ylanilino)pyrimidin-4-yl]phenyl]-2-pyridin-3-ylacetamide;(2R)-N-[4-[2-(4-morpholin-4-ylanilino)pyrimidin-4-yl]phenyl]pyrrolidine-2-carboxamide
• SMILES: COC[C@H](N)C(=O)Nc1ccc(-c2ccnc(Nc3ccc(N4CCOCC4)cc3)n2)cc1.COc1cc(Nc2nccc(-c3ccc(NC(=O)[C@H]4CCCN4)cc3)n2)ccc1N1CCOCC1.O=C(Cc1cccnc1)Nc1ccc(-c2ccnc(Nc3ccc(N4CCOCC4)cc3)n2)cc1.O=C(Nc1ccc(-c2ccnc(Nc3ccc(N4CCOCC4)cc3)n2)cc1)[C@H]1CCCN1.O=C(Nc1ccc(-c2ccnc(Nc3ccc(N4CCOCC4)cc3)n2)cc1)c1ccncc1
• InChI: InChI=1S/C27H26N6O2.C26H30N6O3.C26H24N6O2.C25H28N6O2.C24H28N6O3/c34-26(18-20-2-1-12-28-19-20)30-22-5-3-21(4-6-22)25-11-13-29-27(32-25)31-23-7-9-24(10-8-23)33-14-16-35-17-15-33;1-34-24-17-20(8-9-23(24)32-13-15-35-16-14-32)30-26-28-12-10-21(31-26)18-4-6-19(7-5-18)29-25(33)22-3-2-11-27-22;33-25(20-9-12-27-13-10-20)29-21-3-1-19(2-4-21)24-11-14-28-26(31-24)30-22-5-7-23(8-6-22)32-15-17-34-18-16-32;32-24(23-2-1-12-26-23)28-19-5-3-18(4-6-19)22-11-13-27-25(30-22)29-20-7-9-21(10-8-20)31-14-16-33-17-15-31;1-32-16-21(25)23(31)27-18-4-2-17(3-5-18)22-10-11-26-24(29-22)28-19-6-8-20(9-7-19)30-12-14-33-15-13-30/h1-13,19H,14-18H2,(H,30,34)(H,29,31,32);4-10,12,17,22,27H,2-3,11,13-16H2,1H3,(H,29,33)(H,28,30,31);1-14H,15-18H2,(H,29,33)(H,28,30,31);3-11,13,23,26H,1-2,12,14-17H2,(H,28,32)(H,27,29,30);2-11,21H,12-16,25H2,1H3,(H,27,31)(H,26,28,29)/t;22-;;23-;21-/m.1.10/s1
• InChIKey: NLPVCUQOFCRDML-SGJGZICWSA-N
• XLogP: 18.14
• TPSA: 491.22 Ų
• H-Bond Donors: 13
• H-Bond Acceptors: 37
• Rotatable Bonds: 34
• Heavy Atoms: 170
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2286.69
LogP ≤ 5	18.14
H-Bond Donors ≤ 5	13
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 (2S)-2-amino-3-methoxy-N-[4-[2-(4-morpholin-4-ylanilino)pyrimidin-4-yl]phenyl]propanamide;(2R)-N-[4-[2-(3-methoxy-4-morpholin-4-ylanilino)pyrimidin-4-yl]phenyl]pyrrolidine-2-carboxamide;N-[4-[2-(4-morpholin-4-ylanilino)pyrimidin-4-yl]phenyl]pyridine-4-carboxamide;N-[4-[2-(4-morpholin-4-ylanilino)pyrimidin-4-yl]phenyl]-2-pyridin-3-ylacetamide;(2R)-N-[4-[2-(4-morpholin-4-ylanilino)pyrimidin-4-yl]phenyl]pyrrolidine-2-carboxamide?

The IUPAC name of (2S)-2-amino-3-methoxy-N-[4-[2-(4-morpholin-4-ylanilino)pyrimidin-4-yl]phenyl]propanamide;(2R)-N-[4-[2-(3-methoxy-4-morpholin-4-ylanilino)pyrimidin-4-yl]phenyl]pyrrolidine-2-carboxamide;N-[4-[2-(4-morpholin-4-ylanilino)pyrimidin-4-yl]phenyl]pyridine-4-carboxamide;N-[4-[2-(4-morpholin-4-ylanilino)pyrimidin-4-yl]phenyl]-2-pyridin-3-ylacetamide;(2R)-N-[4-[2-(4-morpholin-4-ylanilino)pyrimidin-4-yl]phenyl]pyrrolidine-2-carboxamide (CID 159815953) is (2S)-2-amino-3-methoxy-N-[4-[2-(4-morpholin-4-ylanilino)pyrimidin-4-yl]phenyl]propanamide;(2R)-N-[4-[2-(3-methoxy-4-morpholin-4-ylanilino)pyrimidin-4-yl]phenyl]pyrrolidine-2-carboxamide;N-[4-[2-(4-morpholin-4-ylanilino)pyrimidin-4-yl]phenyl]pyridine-4-carboxamide;N-[4-[2-(4-morpholin-4-ylanilino)pyrimidin-4-yl]phenyl]-2-pyridin-3-ylacetamide;(2R)-N-[4-[2-(4-morpholin-4-ylanilino)pyrimidin-4-yl]phenyl]pyrrolidine-2-carboxamide.

What is the SMILES notation for (2S)-2-amino-3-methoxy-N-[4-[2-(4-morpholin-4-ylanilino)pyrimidin-4-yl]phenyl]propanamide;(2R)-N-[4-[2-(3-methoxy-4-morpholin-4-ylanilino)pyrimidin-4-yl]phenyl]pyrrolidine-2-carboxamide;N-[4-[2-(4-morpholin-4-ylanilino)pyrimidin-4-yl]phenyl]pyridine-4-carboxamide;N-[4-[2-(4-morpholin-4-ylanilino)pyrimidin-4-yl]phenyl]-2-pyridin-3-ylacetamide;(2R)-N-[4-[2-(4-morpholin-4-ylanilino)pyrimidin-4-yl]phenyl]pyrrolidine-2-carboxamide?

The canonical SMILES for (2S)-2-amino-3-methoxy-N-[4-[2-(4-morpholin-4-ylanilino)pyrimidin-4-yl]phenyl]propanamide;(2R)-N-[4-[2-(3-methoxy-4-morpholin-4-ylanilino)pyrimidin-4-yl]phenyl]pyrrolidine-2-carboxamide;N-[4-[2-(4-morpholin-4-ylanilino)pyrimidin-4-yl]phenyl]pyridine-4-carboxamide;N-[4-[2-(4-morpholin-4-ylanilino)pyrimidin-4-yl]phenyl]-2-pyridin-3-ylacetamide;(2R)-N-[4-[2-(4-morpholin-4-ylanilino)pyrimidin-4-yl]phenyl]pyrrolidine-2-carboxamide is COC[C@H](N)C(=O)Nc1ccc(-c2ccnc(Nc3ccc(N4CCOCC4)cc3)n2)cc1.COc1cc(Nc2nccc(-c3ccc(NC(=O)[C@H]4CCCN4)cc3)n2)ccc1N1CCOCC1.O=C(Cc1cccnc1)Nc1ccc(-c2ccnc(Nc3ccc(N4CCOCC4)cc3)n2)cc1.O=C(Nc1ccc(-c2ccnc(Nc3ccc(N4CCOCC4)cc3)n2)cc1)[C@H]1CCCN1.O=C(Nc1ccc(-c2ccnc(Nc3ccc(N4CCOCC4)cc3)n2)cc1)c1ccncc1.

What is the InChIKey of (2S)-2-amino-3-methoxy-N-[4-[2-(4-morpholin-4-ylanilino)pyrimidin-4-yl]phenyl]propanamide;(2R)-N-[4-[2-(3-methoxy-4-morpholin-4-ylanilino)pyrimidin-4-yl]phenyl]pyrrolidine-2-carboxamide;N-[4-[2-(4-morpholin-4-ylanilino)pyrimidin-4-yl]phenyl]pyridine-4-carboxamide;N-[4-[2-(4-morpholin-4-ylanilino)pyrimidin-4-yl]phenyl]-2-pyridin-3-ylacetamide;(2R)-N-[4-[2-(4-morpholin-4-ylanilino)pyrimidin-4-yl]phenyl]pyrrolidine-2-carboxamide?

The InChIKey is NLPVCUQOFCRDML-SGJGZICWSA-N. The full InChI is InChI=1S/C27H26N6O2.C26H30N6O3.C26H24N6O2.C25H28N6O2.C24H28N6O3/c34-26(18-20-2-1-12-28-19-20)30-22-5-3-21(4-6-22)25-11-13-29-27(32-25)31-23-7-9-24(10-8-23)33-14-16-35-17-15-33;1-34-24-17-20(8-9-23(24)32-13-15-35-16-14-32)30-26-28-12-10-21(31-26)18-4-6-19(7-5-18)29-25(33)22-3-2-11-27-22;33-25(20-9-12-27-13-10-20)29-21-3-1-19(2-4-21)24-11-14-28-26(31-24)30-22-5-7-23(8-6-22)32-15-17-34-18-16-32;32-24(23-2-1-12-26-23)28-19-5-3-18(4-6-19)22-11-13-27-25(30-22)29-20-7-9-21(10-8-20)31-14-16-33-17-15-31;1-32-16-21(25)23(31)27-18-4-2-17(3-5-18)22-10-11-26-24(29-22)28-19-6-8-20(9-7-19)30-12-14-33-15-13-30/h1-13,19H,14-18H2,(H,30,34)(H,29,31,32);4-10,12,17,22,27H,2-3,11,13-16H2,1H3,(H,29,33)(H,28,30,31);1-14H,15-18H2,(H,29,33)(H,28,30,31);3-11,13,23,26H,1-2,12,14-17H2,(H,28,32)(H,27,29,30);2-11,21H,12-16,25H2,1H3,(H,27,31)(H,26,28,29)/t;22-;;23-;21-/m.1.10/s1.

What are the key properties of (2S)-2-amino-3-methoxy-N-[4-[2-(4-morpholin-4-ylanilino)pyrimidin-4-yl]phenyl]propanamide;(2R)-N-[4-[2-(3-methoxy-4-morpholin-4-ylanilino)pyrimidin-4-yl]phenyl]pyrrolidine-2-carboxamide;N-[4-[2-(4-morpholin-4-ylanilino)pyrimidin-4-yl]phenyl]pyridine-4-carboxamide;N-[4-[2-(4-morpholin-4-ylanilino)pyrimidin-4-yl]phenyl]-2-pyridin-3-ylacetamide;(2R)-N-[4-[2-(4-morpholin-4-ylanilino)pyrimidin-4-yl]phenyl]pyrrolidine-2-carboxamide?

(2S)-2-amino-3-methoxy-N-[4-[2-(4-morpholin-4-ylanilino)pyrimidin-4-yl]phenyl]propanamide;(2R)-N-[4-[2-(3-methoxy-4-morpholin-4-ylanilino)pyrimidin-4-yl]phenyl]pyrrolidine-2-carboxamide;N-[4-[2-(4-morpholin-4-ylanilino)pyrimidin-4-yl]phenyl]pyridine-4-carboxamide;N-[4-[2-(4-morpholin-4-ylanilino)pyrimidin-4-yl]phenyl]-2-pyridin-3-ylacetamide;(2R)-N-[4-[2-(4-morpholin-4-ylanilino)pyrimidin-4-yl]phenyl]pyrrolidine-2-carboxamide has a molecular weight of 2286.69 g/mol, XLogP of 18.14, 34 rotatable bonds, 13 hydrogen bond donors, and 37 hydrogen bond acceptors.

Where does this data come from?

All data for (2S)-2-amino-3-methoxy-N-[4-[2-(4-morpholin-4-ylanilino)pyrimidin-4-yl]phenyl]propanamide;(2R)-N-[4-[2-(3-methoxy-4-morpholin-4-ylanilino)pyrimidin-4-yl]phenyl]pyrrolidine-2-carboxamide;N-[4-[2-(4-morpholin-4-ylanilino)pyrimidin-4-yl]phenyl]pyridine-4-carboxamide;N-[4-[2-(4-morpholin-4-ylanilino)pyrimidin-4-yl]phenyl]-2-pyridin-3-ylacetamide;(2R)-N-[4-[2-(4-morpholin-4-ylanilino)pyrimidin-4-yl]phenyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 159815953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).