C101H124N26O13 — CID 157071655
5-(2-ethoxyethyl)-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]pyrimidin-2-amine;2-ethoxy-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]pyrimidin-4-amine;N-(2-hydroxyethyl)-2-[[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]amino]pyrimidine-5-carboxamide;5-(3-methyl-1,2,4-oxadiazol-5-yl)-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]pyridin-2-amine (PubChem CID 157071655) has the molecular formula C101H124N26O13 and a molecular weight of 1910.27 g/mol. Its IUPAC name is 5-(2-ethoxyethyl)-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]pyrimidin-2-amine;2-ethoxy-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]pyrimidin-4-amine;N-(2-hydroxyethyl)-2-[[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]amino]pyrimidine-5-carboxamide;5-(3-methyl-1,2,4-oxadiazol-5-yl)-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]pyridin-2-amine.
| Compound Name | 5-(2-ethoxyethyl)-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]pyrimidin-2-amine;2-ethoxy-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]pyrimidin-4-amine;N-(2-hydroxyethyl)-2-[[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]amino]pyrimidine-5-carboxamide;5-(3-methyl-1,2,4-oxadiazol-5-yl)-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]pyridin-2-amine |
|---|---|
| PubChem CID | 157071655 |
| Molecular Formula | C101H124N26O13 |
| Molecular Weight | 1910.27 g/mol |
| Exact Mass | 1908.98 |
| IUPAC Name | 5-(2-ethoxyethyl)-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]pyrimidin-2-amine;2-ethoxy-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]pyrimidin-4-amine;N-(2-hydroxyethyl)-2-[[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]amino]pyrimidine-5-carboxamide;5-(3-methyl-1,2,4-oxadiazol-5-yl)-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]pyridin-2-amine |
| SMILES | CCOCCc1cnc(NC2CCC(Oc3cc(N4CCOCC4)cc4nccnc34)CC2)nc1.CCOc1nccc(NC2CCC(Oc3cc(N4CCOCC4)cc4nccnc34)CC2)n1.Cc1noc(-c2ccc(NC3CCC(Oc4cc(N5CCOCC5)cc5nccnc45)CC3)nc2)n1.O=C(NCCO)c1cnc(NC2CCC(Oc3cc(N4CCOCC4)cc4nccnc34)CC2)nc1 |
| InChI | InChI=1S/C26H29N7O3.C26H34N6O3.C25H31N7O4.C24H30N6O3/c1-17-30-26(36-32-17)18-2-7-24(29-16-18)31-19-3-5-21(6-4-19)35-23-15-20(33-10-12-34-13-11-33)14-22-25(23)28-9-8-27-22;1-2-33-12-7-19-17-29-26(30-18-19)31-20-3-5-22(6-4-20)35-24-16-21(32-10-13-34-14-11-32)15-23-25(24)28-9-8-27-23;33-10-7-28-24(34)17-15-29-25(30-16-17)31-18-1-3-20(4-2-18)36-22-14-19(32-8-11-35-12-9-32)13-21-23(22)27-6-5-26-21;1-2-32-24-27-8-7-22(29-24)28-17-3-5-19(6-4-17)33-21-16-18(30-11-13-31-14-12-30)15-20-23(21)26-10-9-25-20/h2,7-9,14-16,19,21H,3-6,10-13H2,1H3,(H,29,31);8-9,15-18,20,22H,2-7,10-14H2,1H3,(H,29,30,31);5-6,13-16,18,20,33H,1-4,7-12H2,(H,28,34)(H,29,30,31);7-10,15-17,19H,2-6,11-14H2,1H3,(H,27,28,29) |
| InChIKey | ACMSKSLTZUMBHE-UHFFFAOYSA-N |
| XLogP | 12.90 |
| TPSA | 434.98 Ų |
| H-Bond Donors | 6 |
| H-Bond Acceptors | 38 |
| Rotatable Bonds | 30 |
| Heavy Atoms | 140 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 1910.27 |
| LogP ≤ 5 | 12.90 |
| H-Bond Donors ≤ 5 | 6 |
| H-Bond Acceptors ≤ 10 | 38 |
| Structural Alerts | {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'} |
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