N-[(Z)-(4-bromophenyl)methylideneamino]-2,6-dimorpholin-4-ylpyrimidin-4-amine
Formula:C19H23N6O2Br
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-(4-bromophenyl)methylideneamino]-2,6-dimorpholin-4-ylpyrimidin-4-amine is a drug-like molecule.
| MolName | N-[(Z)-(4-bromophenyl)methylideneamino]-2,6-dimorpholin-4-ylpyrimidin-4-amine |
| MolecularFormula | C19H23N6O2Br |
| Smiles | Brc1ccc(/C=N\Nc2nc(N3CCOCC3)nc(N3CCOCC3)c2)cc1 |
| InChI | InChI=1S/C19H23BrN6O2/c20-16-3-1-15(2-4-16)14-21-24-17-13-18(25-5-9-27-10-6-25)23-19(22-17)26-7-11-28-12-8-26/h1-4,13-14H,5-12H2,(H,22,23,24) |
| InChIK | ONZQESIKAYYVBB-UHFFFAOYSA-N |
| TotalMolweight | 447.336 |
| Molweight | 447.336 |
| MonoisotopicMass | 446.106585 |
| CLogP | 4.4132 |
| CLogS | -4.506 |
| H Acceptors | 8 |
| H Donors | 1 |
| TotalSurfaceArea | 309.07 |
| Relative PSA | 0.23299 |
| PolarSurfaceArea | 75.11 |
| Druglikeness | 1.5085 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.53571 |
| Fragments | 1 |
| Non HAtoms | 28 |
| 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 | 2 |
| BasicNitrogens | 2 |
| StereoCon |
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1 - N-[(Z)-(4-bromophenyl)methylideneamino]-2,6-dimorpholin-4-ylpyrimidin-4-amine | 2 - N-[(Z)-(4-bromophenyl)methylideneamino]-2,6-dimorpholin-4-ylpyrimidin-4-amine
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