N-[(Z)-[2-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]-2,6-dimorpholin-4-ylpyrimidin-4-amine
Formula:C26H29N6O3Cl
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-[2-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]-2,6-dimorpholin-4-ylpyrimidin-4-amine is not a drug-like molecule.
| MolName | N-[(Z)-[2-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]-2,6-dimorpholin-4-ylpyrimidin-4-amine |
| MolecularFormula | C26H29N6O3Cl |
| Smiles | Clc1c(COc2c(/C=N\Nc3nc(N4CCOCC4)nc(N4CCOCC4)c3)cccc2)cccc1 |
| InChI | InChI=1S/C26H29ClN6O3/c27-22-7-3-1-6-21(22)19-36-23-8-4-2-5-20(23)18-28-31-24-17-25(32-9-13-34-14-10-32)30-26(29-24)33-11-15-35-16-12-33/h1-8,17-18H,9-16,19H2,(H,29,30,31) |
| InChIK | HMLSEECMDUIPDC-UHFFFAOYSA-N |
| TotalMolweight | 509.008 |
| Molweight | 509.008 |
| MonoisotopicMass | 508.198966 |
| CLogP | 5.6421 |
| CLogS | -5.749 |
| H Acceptors | 9 |
| H Donors | 1 |
| TotalSurfaceArea | 389.38 |
| Relative PSA | 0.21062 |
| PolarSurfaceArea | 84.34 |
| Druglikeness | 3.3122 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.5 |
| Fragments | 1 |
| Non HAtoms | 36 |
| NonCHAtoms | 10 |
| Electronegative Atoms | 10 |
| Rotatable Bond | 8 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 12 |
| Symmetricatoms | 4 |
| Aromatic Nitrogens | 2 |
| BasicNitrogens | 2 |
| StereoCon |
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