2,6-dimorpholin-4-yl-N-[(Z)-[5-(3-nitrophenyl)furan-2-yl]methylideneamino]pyrimidin-4-amine
Formula:C23H25N7O5
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
2,6-dimorpholin-4-yl-N-[(Z)-[5-(3-nitrophenyl)furan-2-yl]methylideneamino]pyrimidin-4-amine is not a drug-like molecule.
| MolName | 2,6-dimorpholin-4-yl-N-[(Z)-[5-(3-nitrophenyl)furan-2-yl]methylideneamino]pyrimidin-4-amine |
| MolecularFormula | C23H25N7O5 |
| Smiles | [O-][N+](c1cc(-c2ccc(/C=N\Nc3nc(N4CCOCC4)nc(N4CCOCC4)c3)o2)ccc1)=O |
| InChI | InChI=1S/C23H25N7O5/c31-30(32)18-3-1-2-17(14-18)20-5-4-19(35-20)16-24-27-21-15-22(28-6-10-33-11-7-28)26-23(25-21)29-8-12-34-13-9-29/h1-5,14-16H,6-13H2,(H,25,26,27) |
| InChIK | HYNWMOBWOKMZAV-UHFFFAOYSA-N |
| TotalMolweight | 479.496 |
| Molweight | 479.496 |
| MonoisotopicMass | 479.191718 |
| CLogP | 3.3645 |
| CLogS | -5.592 |
| H Acceptors | 12 |
| H Donors | 1 |
| TotalSurfaceArea | 363.56 |
| Relative PSA | 0.32055 |
| PolarSurfaceArea | 134.07 |
| Druglikeness | 0.087166 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; imine/hydrazone of aldehyde |
| Shape Index | 0.51429 |
| Fragments | 1 |
| Non HAtoms | 35 |
| NonCHAtoms | 12 |
| Electronegative Atoms | 12 |
| Rotatable Bond | 7 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Sp3Atoms | 11 |
| Symmetricatoms | 4 |
| Aromatic Nitrogens | 2 |
| BasicNitrogens | 2 |
| AcidicOxygens | 1 |
| StereoCon |
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