(2S,3R)-2-amino-3-hydroxy-N-[4-[2-(4-morpholin-4-ylanilino)pyrimidin-4-yl]phenyl]butanamide;(2R)-2-amino-N-[4-[2-[4-[4-(3-methoxypropanoyl)piperazin-1-yl]anilino]pyrimidin-4-yl]phenyl]propanamide;N-[4-[2-(3-methoxy-4-morpholin-4-ylanilino)pyrimidin-4-yl]phenyl]butanamide;N-[4-[2-[4-[4-(3-methoxypropanoyl)piperazin-1-yl]anilino]pyrimidin-4-yl]phenyl]butanamide;N-[4-[2-[4-[4-(3-methoxypropanoyl)piperazin-1-yl]anilino]pyrimidin-4-yl]phenyl]cyclopropanecarboxamide

C132H156N30O15 — CID 161125662

About (2S,3R)-2-amino-3-hydroxy-N-[4-[2-(4-morpholin-4-ylanilino)pyrimidin-4-yl]phenyl]butanamide;(2R)-2-amino-N-[4-[2-[4-[4-(3-methoxypropanoyl)piperazin-1-yl]anilino]pyrimidin-4-yl]phenyl]propanamide;N-[4-[2-(3-methoxy-4-morpholin-4-ylanilino)pyrimidin-4-yl]phenyl]butanamide;N-[4-[2-[4-[4-(3-methoxypropanoyl)piperazin-1-yl]anilino]pyrimidin-4-yl]phenyl]butanamide;N-[4-[2-[4-[4-(3-methoxypropanoyl)piperazin-1-yl]anilino]pyrimidin-4-yl]phenyl]cyclopropanecarboxamide

(2S,3R)-2-amino-3-hydroxy-N-[4-[2-(4-morpholin-4-ylanilino)pyrimidin-4-yl]phenyl]butanamide;(2R)-2-amino-N-[4-[2-[4-[4-(3-methoxypropanoyl)piperazin-1-yl]anilino]pyrimidin-4-yl]phenyl]propanamide;N-[4-[2-(3-methoxy-4-morpholin-4-ylanilino)pyrimidin-4-yl]phenyl]butanamide;N-[4-[2-[4-[4-(3-methoxypropanoyl)piperazin-1-yl]anilino]pyrimidin-4-yl]phenyl]butanamide;N-[4-[2-[4-[4-(3-methoxypropanoyl)piperazin-1-yl]anilino]pyrimidin-4-yl]phenyl]cyclopropanecarboxamide (PubChem CID 161125662) has the molecular formula C132H156N30O15 and a molecular weight of 2402.89 g/mol. Its IUPAC name is (2S,3R)-2-amino-3-hydroxy-N-[4-[2-(4-morpholin-4-ylanilino)pyrimidin-4-yl]phenyl]butanamide;(2R)-2-amino-N-[4-[2-[4-[4-(3-methoxypropanoyl)piperazin-1-yl]anilino]pyrimidin-4-yl]phenyl]propanamide;N-[4-[2-(3-methoxy-4-morpholin-4-ylanilino)pyrimidin-4-yl]phenyl]butanamide;N-[4-[2-[4-[4-(3-methoxypropanoyl)piperazin-1-yl]anilino]pyrimidin-4-yl]phenyl]butanamide;N-[4-[2-[4-[4-(3-methoxypropanoyl)piperazin-1-yl]anilino]pyrimidin-4-yl]phenyl]cyclopropanecarboxamide.

Molecular Properties

• Compound Name: (2S,3R)-2-amino-3-hydroxy-N-[4-[2-(4-morpholin-4-ylanilino)pyrimidin-4-yl]phenyl]butanamide;(2R)-2-amino-N-[4-[2-[4-[4-(3-methoxypropanoyl)piperazin-1-yl]anilino]pyrimidin-4-yl]phenyl]propanamide;N-[4-[2-(3-methoxy-4-morpholin-4-ylanilino)pyrimidin-4-yl]phenyl]butanamide;N-[4-[2-[4-[4-(3-methoxypropanoyl)piperazin-1-yl]anilino]pyrimidin-4-yl]phenyl]butanamide;N-[4-[2-[4-[4-(3-methoxypropanoyl)piperazin-1-yl]anilino]pyrimidin-4-yl]phenyl]cyclopropanecarboxamide
• PubChem CID: 161125662
• Molecular Formula: C132H156N30O15
• Molecular Weight: 2402.89 g/mol
• Exact Mass: 2401.24
• IUPAC Name: (2S,3R)-2-amino-3-hydroxy-N-[4-[2-(4-morpholin-4-ylanilino)pyrimidin-4-yl]phenyl]butanamide;(2R)-2-amino-N-[4-[2-[4-[4-(3-methoxypropanoyl)piperazin-1-yl]anilino]pyrimidin-4-yl]phenyl]propanamide;N-[4-[2-(3-methoxy-4-morpholin-4-ylanilino)pyrimidin-4-yl]phenyl]butanamide;N-[4-[2-[4-[4-(3-methoxypropanoyl)piperazin-1-yl]anilino]pyrimidin-4-yl]phenyl]butanamide;N-[4-[2-[4-[4-(3-methoxypropanoyl)piperazin-1-yl]anilino]pyrimidin-4-yl]phenyl]cyclopropanecarboxamide
• SMILES: CCCC(=O)Nc1ccc(-c2ccnc(Nc3ccc(N4CCN(C(=O)CCOC)CC4)cc3)n2)cc1.CCCC(=O)Nc1ccc(-c2ccnc(Nc3ccc(N4CCOCC4)c(OC)c3)n2)cc1.COCCC(=O)N1CCN(c2ccc(Nc3nccc(-c4ccc(NC(=O)C5CC5)cc4)n3)cc2)CC1.COCCC(=O)N1CCN(c2ccc(Nc3nccc(-c4ccc(NC(=O)[C@@H](C)N)cc4)n3)cc2)CC1.C[C@@H](O)[C@H](N)C(=O)Nc1ccc(-c2ccnc(Nc3ccc(N4CCOCC4)cc3)n2)cc1
• InChI: InChI=1S/C28H32N6O3.C28H34N6O3.C27H33N7O3.C25H29N5O3.C24H28N6O3/c1-37-19-13-26(35)34-17-15-33(16-18-34)24-10-8-23(9-11-24)31-28-29-14-12-25(32-28)20-4-6-22(7-5-20)30-27(36)21-2-3-21;1-3-4-26(35)30-22-7-5-21(6-8-22)25-13-15-29-28(32-25)31-23-9-11-24(12-10-23)33-16-18-34(19-17-33)27(36)14-20-37-2;1-19(28)26(36)30-21-5-3-20(4-6-21)24-11-13-29-27(32-24)31-22-7-9-23(10-8-22)33-14-16-34(17-15-33)25(35)12-18-37-2;1-3-4-24(31)27-19-7-5-18(6-8-19)21-11-12-26-25(29-21)28-20-9-10-22(23(17-20)32-2)30-13-15-33-16-14-30;1-16(31)22(25)23(32)27-18-4-2-17(3-5-18)21-10-11-26-24(29-21)28-19-6-8-20(9-7-19)30-12-14-33-15-13-30/h4-12,14,21H,2-3,13,15-19H2,1H3,(H,30,36)(H,29,31,32);5-13,15H,3-4,14,16-20H2,1-2H3,(H,30,35)(H,29,31,32);3-11,13,19H,12,14-18,28H2,1-2H3,(H,30,36)(H,29,31,32);5-12,17H,3-4,13-16H2,1-2H3,(H,27,31)(H,26,28,29);2-11,16,22,31H,12-15,25H2,1H3,(H,27,32)(H,26,28,29)/t;;19-;;16-,22+/m..1.1/s1
• InChIKey: ULNGWRKUPVBTGF-VLXKZJERSA-N
• XLogP: 17.93
• TPSA: 539.33 Ų
• H-Bond Donors: 13
• H-Bond Acceptors: 37
• Rotatable Bonds: 43
• Heavy Atoms: 177
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2402.89
LogP ≤ 5	17.93
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,3R)-2-amino-3-hydroxy-N-[4-[2-(4-morpholin-4-ylanilino)pyrimidin-4-yl]phenyl]butanamide;(2R)-2-amino-N-[4-[2-[4-[4-(3-methoxypropanoyl)piperazin-1-yl]anilino]pyrimidin-4-yl]phenyl]propanamide;N-[4-[2-(3-methoxy-4-morpholin-4-ylanilino)pyrimidin-4-yl]phenyl]butanamide;N-[4-[2-[4-[4-(3-methoxypropanoyl)piperazin-1-yl]anilino]pyrimidin-4-yl]phenyl]butanamide;N-[4-[2-[4-[4-(3-methoxypropanoyl)piperazin-1-yl]anilino]pyrimidin-4-yl]phenyl]cyclopropanecarboxamide?

The IUPAC name of (2S,3R)-2-amino-3-hydroxy-N-[4-[2-(4-morpholin-4-ylanilino)pyrimidin-4-yl]phenyl]butanamide;(2R)-2-amino-N-[4-[2-[4-[4-(3-methoxypropanoyl)piperazin-1-yl]anilino]pyrimidin-4-yl]phenyl]propanamide;N-[4-[2-(3-methoxy-4-morpholin-4-ylanilino)pyrimidin-4-yl]phenyl]butanamide;N-[4-[2-[4-[4-(3-methoxypropanoyl)piperazin-1-yl]anilino]pyrimidin-4-yl]phenyl]butanamide;N-[4-[2-[4-[4-(3-methoxypropanoyl)piperazin-1-yl]anilino]pyrimidin-4-yl]phenyl]cyclopropanecarboxamide (CID 161125662) is (2S,3R)-2-amino-3-hydroxy-N-[4-[2-(4-morpholin-4-ylanilino)pyrimidin-4-yl]phenyl]butanamide;(2R)-2-amino-N-[4-[2-[4-[4-(3-methoxypropanoyl)piperazin-1-yl]anilino]pyrimidin-4-yl]phenyl]propanamide;N-[4-[2-(3-methoxy-4-morpholin-4-ylanilino)pyrimidin-4-yl]phenyl]butanamide;N-[4-[2-[4-[4-(3-methoxypropanoyl)piperazin-1-yl]anilino]pyrimidin-4-yl]phenyl]butanamide;N-[4-[2-[4-[4-(3-methoxypropanoyl)piperazin-1-yl]anilino]pyrimidin-4-yl]phenyl]cyclopropanecarboxamide.

What is the SMILES notation for (2S,3R)-2-amino-3-hydroxy-N-[4-[2-(4-morpholin-4-ylanilino)pyrimidin-4-yl]phenyl]butanamide;(2R)-2-amino-N-[4-[2-[4-[4-(3-methoxypropanoyl)piperazin-1-yl]anilino]pyrimidin-4-yl]phenyl]propanamide;N-[4-[2-(3-methoxy-4-morpholin-4-ylanilino)pyrimidin-4-yl]phenyl]butanamide;N-[4-[2-[4-[4-(3-methoxypropanoyl)piperazin-1-yl]anilino]pyrimidin-4-yl]phenyl]butanamide;N-[4-[2-[4-[4-(3-methoxypropanoyl)piperazin-1-yl]anilino]pyrimidin-4-yl]phenyl]cyclopropanecarboxamide?

The canonical SMILES for (2S,3R)-2-amino-3-hydroxy-N-[4-[2-(4-morpholin-4-ylanilino)pyrimidin-4-yl]phenyl]butanamide;(2R)-2-amino-N-[4-[2-[4-[4-(3-methoxypropanoyl)piperazin-1-yl]anilino]pyrimidin-4-yl]phenyl]propanamide;N-[4-[2-(3-methoxy-4-morpholin-4-ylanilino)pyrimidin-4-yl]phenyl]butanamide;N-[4-[2-[4-[4-(3-methoxypropanoyl)piperazin-1-yl]anilino]pyrimidin-4-yl]phenyl]butanamide;N-[4-[2-[4-[4-(3-methoxypropanoyl)piperazin-1-yl]anilino]pyrimidin-4-yl]phenyl]cyclopropanecarboxamide is CCCC(=O)Nc1ccc(-c2ccnc(Nc3ccc(N4CCN(C(=O)CCOC)CC4)cc3)n2)cc1.CCCC(=O)Nc1ccc(-c2ccnc(Nc3ccc(N4CCOCC4)c(OC)c3)n2)cc1.COCCC(=O)N1CCN(c2ccc(Nc3nccc(-c4ccc(NC(=O)C5CC5)cc4)n3)cc2)CC1.COCCC(=O)N1CCN(c2ccc(Nc3nccc(-c4ccc(NC(=O)[C@@H](C)N)cc4)n3)cc2)CC1.C[C@@H](O)[C@H](N)C(=O)Nc1ccc(-c2ccnc(Nc3ccc(N4CCOCC4)cc3)n2)cc1.

What is the InChIKey of (2S,3R)-2-amino-3-hydroxy-N-[4-[2-(4-morpholin-4-ylanilino)pyrimidin-4-yl]phenyl]butanamide;(2R)-2-amino-N-[4-[2-[4-[4-(3-methoxypropanoyl)piperazin-1-yl]anilino]pyrimidin-4-yl]phenyl]propanamide;N-[4-[2-(3-methoxy-4-morpholin-4-ylanilino)pyrimidin-4-yl]phenyl]butanamide;N-[4-[2-[4-[4-(3-methoxypropanoyl)piperazin-1-yl]anilino]pyrimidin-4-yl]phenyl]butanamide;N-[4-[2-[4-[4-(3-methoxypropanoyl)piperazin-1-yl]anilino]pyrimidin-4-yl]phenyl]cyclopropanecarboxamide?

The InChIKey is ULNGWRKUPVBTGF-VLXKZJERSA-N. The full InChI is InChI=1S/C28H32N6O3.C28H34N6O3.C27H33N7O3.C25H29N5O3.C24H28N6O3/c1-37-19-13-26(35)34-17-15-33(16-18-34)24-10-8-23(9-11-24)31-28-29-14-12-25(32-28)20-4-6-22(7-5-20)30-27(36)21-2-3-21;1-3-4-26(35)30-22-7-5-21(6-8-22)25-13-15-29-28(32-25)31-23-9-11-24(12-10-23)33-16-18-34(19-17-33)27(36)14-20-37-2;1-19(28)26(36)30-21-5-3-20(4-6-21)24-11-13-29-27(32-24)31-22-7-9-23(10-8-22)33-14-16-34(17-15-33)25(35)12-18-37-2;1-3-4-24(31)27-19-7-5-18(6-8-19)21-11-12-26-25(29-21)28-20-9-10-22(23(17-20)32-2)30-13-15-33-16-14-30;1-16(31)22(25)23(32)27-18-4-2-17(3-5-18)21-10-11-26-24(29-21)28-19-6-8-20(9-7-19)30-12-14-33-15-13-30/h4-12,14,21H,2-3,13,15-19H2,1H3,(H,30,36)(H,29,31,32);5-13,15H,3-4,14,16-20H2,1-2H3,(H,30,35)(H,29,31,32);3-11,13,19H,12,14-18,28H2,1-2H3,(H,30,36)(H,29,31,32);5-12,17H,3-4,13-16H2,1-2H3,(H,27,31)(H,26,28,29);2-11,16,22,31H,12-15,25H2,1H3,(H,27,32)(H,26,28,29)/t;;19-;;16-,22+/m..1.1/s1.

What are the key properties of (2S,3R)-2-amino-3-hydroxy-N-[4-[2-(4-morpholin-4-ylanilino)pyrimidin-4-yl]phenyl]butanamide;(2R)-2-amino-N-[4-[2-[4-[4-(3-methoxypropanoyl)piperazin-1-yl]anilino]pyrimidin-4-yl]phenyl]propanamide;N-[4-[2-(3-methoxy-4-morpholin-4-ylanilino)pyrimidin-4-yl]phenyl]butanamide;N-[4-[2-[4-[4-(3-methoxypropanoyl)piperazin-1-yl]anilino]pyrimidin-4-yl]phenyl]butanamide;N-[4-[2-[4-[4-(3-methoxypropanoyl)piperazin-1-yl]anilino]pyrimidin-4-yl]phenyl]cyclopropanecarboxamide?

(2S,3R)-2-amino-3-hydroxy-N-[4-[2-(4-morpholin-4-ylanilino)pyrimidin-4-yl]phenyl]butanamide;(2R)-2-amino-N-[4-[2-[4-[4-(3-methoxypropanoyl)piperazin-1-yl]anilino]pyrimidin-4-yl]phenyl]propanamide;N-[4-[2-(3-methoxy-4-morpholin-4-ylanilino)pyrimidin-4-yl]phenyl]butanamide;N-[4-[2-[4-[4-(3-methoxypropanoyl)piperazin-1-yl]anilino]pyrimidin-4-yl]phenyl]butanamide;N-[4-[2-[4-[4-(3-methoxypropanoyl)piperazin-1-yl]anilino]pyrimidin-4-yl]phenyl]cyclopropanecarboxamide has a molecular weight of 2402.89 g/mol, XLogP of 17.93, 43 rotatable bonds, 13 hydrogen bond donors, and 37 hydrogen bond acceptors.

Where does this data come from?

All data for (2S,3R)-2-amino-3-hydroxy-N-[4-[2-(4-morpholin-4-ylanilino)pyrimidin-4-yl]phenyl]butanamide;(2R)-2-amino-N-[4-[2-[4-[4-(3-methoxypropanoyl)piperazin-1-yl]anilino]pyrimidin-4-yl]phenyl]propanamide;N-[4-[2-(3-methoxy-4-morpholin-4-ylanilino)pyrimidin-4-yl]phenyl]butanamide;N-[4-[2-[4-[4-(3-methoxypropanoyl)piperazin-1-yl]anilino]pyrimidin-4-yl]phenyl]butanamide;N-[4-[2-[4-[4-(3-methoxypropanoyl)piperazin-1-yl]anilino]pyrimidin-4-yl]phenyl]cyclopropanecarboxamide is sourced from PubChem (CID 161125662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).