6-(2,5-dimethoxy-benzyl)-5-methyl-pyrido[2,3-d]pyrimidine-2,4-diamine (MXA) Summary
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- 6-(2,5-dimethoxy-benzyl)-5-methyl-pyrido[2,3-d]pyrimidine-2,4-diamine (MXA) Summary
- Dihedrals
Dihedrals Table
| Dih. | Atom names | Experimental | Type |
|---|---|---|---|
| 1 | N1.1-C2.2-N3.4-C4.54-3-1-0 N1.5-C2.4-N3.2-C4.1 | 0.874 | Rigid Ring |
| 2 | N1.1-C8A.13-C4A.7-C4.54-6-12-0 N1.5-C8A.7-C4A.13-C4.1 | -0.01 | Rigid Ring |
| 3 | N1.1-C8A.13-C4A.7-C5.87-6-12-0 N1.8-C8A.7-C4A.13-C5.1 | -179.559 | Rigid Ring |
| 4 | N1.1-C8A.13-N8.12-C7.1110-11-12-0 N1.11-C8A.12-N8.13-C7.1 | -178.536 | Rigid Ring |
| 5 | C2.2-N1.1-C8A.13-C4A.76-12-0-1 C2.7-N1.13-C8A.1-C4A.2 | 1.183 | Rigid Ring |
| 6 | C2.2-N1.1-C8A.13-N8.1211-12-0-1 C2.12-N1.13-C8A.1-N8.2 | -176.757 | Rigid Ring |
| 7 | C2.2-N3.4-C4.5-N4.65-4-3-1 C2.6-N3.5-C4.4-N4.2 | 179.842 | Rigid |
| 8 | C2.2-N3.4-C4.5-C4A.76-4-3-1 C2.7-N3.5-C4.4-C4A.2 | 0.508 | Rigid Ring |
| 9 | N2.3-C2.2-N3.4-C4.54-3-1-2 N2.5-C2.4-N3.2-C4.3 | -179.895 | Rigid |
| 10 | N3.4-C4.5-C4A.7-C5.87-6-4-3 N3.8-C4.7-C4A.5-C5.4 | 178.645 | Rigid Ring |
| 11 | N3.4-C4.5-C4A.7-C8A.1312-6-4-3 N3.13-C4.7-C4A.5-C8A.4 | -0.86 | Rigid Ring |
| 12 | C4.5-C4A.7-C5.8-C5M.98-7-6-4 C4.9-C4A.8-C5.7-C5M.5 | -1.138 | Rigid |
| 13 | C4.5-C4A.7-C5.8-C6.109-7-6-4 C4.10-C4A.8-C5.7-C6.5 | 179.704 | Rigid Ring |
| 14 | C4.5-C4A.7-C8A.13-N8.1211-12-6-4 C4.12-C4A.13-C8A.7-N8.5 | 177.766 | Rigid Ring |
| 15 | N4.6-C4.5-C4A.7-C5.87-6-4-5 N4.8-C4.7-C4A.5-C5.6 | -0.658 | Rigid |
| 16 | N4.6-C4.5-C4A.7-C8A.1312-6-4-5 N4.13-C4.7-C4A.5-C8A.6 | 179.837 | Rigid |
| 17 | C4A.7-C5.8-C6.10-C7.1110-9-7-6 C4A.11-C5.10-C6.8-C7.7 | 1.525 | Rigid Ring |
| 18 | C4A.7-C5.8-C6.10-C9.1413-9-7-6 C4A.14-C5.10-C6.8-C9.7 | 177.101 | Rigid |
| 19 | C4A.7-C8A.13-N8.12-C7.1110-11-12-6 C4A.11-C8A.12-N8.13-C7.7 | 3.505 | Rigid Ring |
| 20 | C5.8-C4A.7-C8A.13-N8.1211-12-6-7 C5.12-C4A.13-C8A.7-N8.8 | -1.784 | Rigid Ring |
| 21 | C5.8-C6.10-C7.11-N8.1211-10-9-7 C5.12-C6.11-C7.10-N8.8 | 0.29 | Rigid Ring |
| 22 | C5.8-C6.10-C9.14-C1'.1514-13-9-7 C5.15-C6.14-C9.10-C1'.8 | 145.124 | Flexible |
| 23 | C5M.9-C5.8-C4A.7-C8A.1312-6-7-8 C5M.13-C5.7-C4A.8-C8A.9 | 178.347 | Rigid |
| 24 | C5M.9-C5.8-C6.10-C7.1110-9-7-8 C5M.11-C5.10-C6.8-C7.9 | -177.644 | Rigid |
| 25 | C5M.9-C5.8-C6.10-C9.1413-9-7-8 C5M.14-C5.10-C6.8-C9.9 | -2.068 | Rigid |
| 26 | C6.10-C5.8-C4A.7-C8A.1312-6-7-9 C6.13-C5.7-C4A.8-C8A.10 | -0.81 | Rigid Ring |
| 27 | C6.10-C7.11-N8.12-C8A.1312-11-10-9 C6.13-C7.12-N8.11-C8A.10 | -2.797 | Rigid Ring |
| 28 | C6.10-C9.14-C1'.15-C2'.1615-14-13-9 C6.16-C9.15-C1'.14-C2'.10 | -89.493 | Flexible |
| 29 | C6.10-C9.14-C1'.15-C6'.2423-14-13-9 C6.24-C9.15-C1'.14-C6'.10 | 91.263 | Flexible |
| 30 | C7.11-C6.10-C9.14-C1'.1514-13-9-10 C7.15-C6.14-C9.10-C1'.11 | -39.352 | Flexible |
| 31 | N8.12-C7.11-C6.10-C9.1413-9-10-11 N8.14-C7.10-C6.11-C9.12 | -175.254 | Rigid |
| 32 | C8A.13-N1.1-C2.2-N2.32-1-0-12 C8A.3-N1.2-C2.1-N2.13 | 179.128 | Rigid |
| 33 | C8A.13-N1.1-C2.2-N3.43-1-0-12 C8A.4-N1.2-C2.1-N3.13 | -1.685 | Rigid Ring |
| 34 | C9.14-C1'.15-C2'.16-O2'.1716-15-14-13 C9.17-C1'.16-C2'.15-O2'.14 | -1.73 | Rigid |
| 35 | C9.14-C1'.15-C2'.16-C3'.1918-15-14-13 C9.19-C1'.16-C2'.15-C3'.14 | 178.4 | Rigid |
| 36 | C9.14-C1'.15-C6'.24-C5'.2120-23-14-13 C9.21-C1'.24-C6'.15-C5'.14 | -178.753 | Rigid |
| 37 | C1'.15-C2'.16-O2'.17-C21.1817-16-15-14 C1'.18-C2'.17-O2'.16-C21.15 | 153.24 | Flexible |
| 38 | C1'.15-C2'.16-C3'.19-C4'.2019-18-15-14 C1'.20-C2'.19-C3'.16-C4'.15 | 0.97 | Rigid Ring |
| 39 | C1'.15-C6'.24-C5'.21-C4'.2019-20-23-14 C1'.20-C6'.21-C5'.24-C4'.15 | -0.199 | Rigid Ring |
| 40 | C1'.15-C6'.24-C5'.21-O5'.2221-20-23-14 C1'.22-C6'.21-C5'.24-O5'.15 | 178.593 | Rigid |
| 41 | C2'.16-C1'.15-C6'.24-C5'.2120-23-14-15 C2'.21-C1'.24-C6'.15-C5'.16 | 2.013 | Rigid Ring |
| 42 | C2'.16-C3'.19-C4'.20-C5'.2120-19-18-15 C2'.21-C3'.20-C4'.19-C5'.16 | 0.745 | Rigid Ring |
| 43 | O2'.17-C2'.16-C1'.15-C6'.2423-14-15-16 O2'.24-C2'.15-C1'.16-C6'.17 | 177.489 | Rigid |
| 44 | O2'.17-C2'.16-C3'.19-C4'.2019-18-15-16 O2'.20-C2'.19-C3'.16-C4'.17 | -178.879 | Rigid |
| 45 | C21.18-O2'.17-C2'.16-C3'.1918-15-16-17 C21.19-O2'.16-C2'.17-C3'.18 | -26.905 | Flexible |
| 46 | C3'.19-C2'.16-C1'.15-C6'.2423-14-15-18 C3'.24-C2'.15-C1'.16-C6'.19 | -2.382 | Rigid Ring |
| 47 | C3'.19-C4'.20-C5'.21-O5'.2221-20-19-18 C3'.22-C4'.21-C5'.20-O5'.19 | -179.716 | Rigid |
| 48 | C3'.19-C4'.20-C5'.21-C6'.2423-20-19-18 C3'.24-C4'.21-C5'.20-C6'.19 | -1.152 | Rigid Ring |
| 49 | C4'.20-C5'.21-O5'.22-C51.2322-21-20-19 C4'.23-C5'.22-O5'.21-C51.20 | 11.135 | Flexible |
| 50 | C51.23-O5'.22-C5'.21-C6'.2423-20-21-22 C51.24-O5'.21-C5'.22-C6'.23 | -167.566 | Flexible |
Dihedrals Histogram