2,6-dimorpholin-4-yl-N-[(Z)-pyridin-4-ylmethylideneamino]pyrimidin-4-amine
Formula:C18H23N7O2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2,6-dimorpholin-4-yl-N-[(Z)-pyridin-4-ylmethylideneamino]pyrimidin-4-amine is a drug-like molecule.
| MolName | 2,6-dimorpholin-4-yl-N-[(Z)-pyridin-4-ylmethylideneamino]pyrimidin-4-amine |
| MolecularFormula | C18H23N7O2 |
| Smiles | C(COCC1)N1c1cc(N/N=C\c2ccncc2)nc(N2CCOCC2)n1 |
| InChI | InChI=1S/C18H23N7O2/c1-3-19-4-2-15(1)14-20-23-16-13-17(24-5-9-26-10-6-24)22-18(21-16)25-7-11-27-12-8-25/h1-4,13-14H,5-12H2,(H,21,22,23) |
| InChIK | IBGJUCPTYLIQJP-UHFFFAOYSA-N |
| TotalMolweight | 369.428 |
| Molweight | 369.428 |
| MonoisotopicMass | 369.191323 |
| CLogP | 2.6871 |
| CLogS | -2.877 |
| H Acceptors | 9 |
| H Donors | 1 |
| TotalSurfaceArea | 289.2 |
| Relative PSA | 0.28693 |
| PolarSurfaceArea | 88 |
| Druglikeness | 3.2985 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.51852 |
| Fragments | 1 |
| Non HAtoms | 27 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 5 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 10 |
| Symmetricatoms | 6 |
| Aromatic Nitrogens | 3 |
| BasicNitrogens | 2 |
| StereoCon |
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