2,6-dimorpholin-4-yl-N-[(Z)-(3-nitrophenyl)methylideneamino]pyrimidin-4-amine
Formula:C19H23N7O4
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2,6-dimorpholin-4-yl-N-[(Z)-(3-nitrophenyl)methylideneamino]pyrimidin-4-amine is not a drug-like molecule.
| MolName | 2,6-dimorpholin-4-yl-N-[(Z)-(3-nitrophenyl)methylideneamino]pyrimidin-4-amine |
| MolecularFormula | C19H23N7O4 |
| Smiles | [O-][N+](c1cc(/C=N\Nc2nc(N3CCOCC3)nc(N3CCOCC3)c2)ccc1)=O |
| InChI | InChI=1S/C19H23N7O4/c27-26(28)16-3-1-2-15(12-16)14-20-23-17-13-18(24-4-8-29-9-5-24)22-19(21-17)25-6-10-30-11-7-25/h1-3,12-14H,4-11H2,(H,21,22,23) |
| InChIK | NOKUQSUAWXDYHE-UHFFFAOYSA-N |
| TotalMolweight | 413.437 |
| Molweight | 413.437 |
| MonoisotopicMass | 413.181153 |
| CLogP | 2.4256 |
| CLogS | -4.132 |
| H Acceptors | 11 |
| H Donors | 1 |
| TotalSurfaceArea | 314.11 |
| Relative PSA | 0.3261 |
| PolarSurfaceArea | 120.93 |
| Druglikeness | -1.8712 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; imine/hydrazone of aldehyde |
| Shape Index | 0.5 |
| Fragments | 1 |
| Non HAtoms | 30 |
| NonCHAtoms | 11 |
| Electronegative Atoms | 11 |
| Rotatable Bond | 6 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 11 |
| Symmetricatoms | 4 |
| Aromatic Nitrogens | 2 |
| BasicNitrogens | 2 |
| AcidicOxygens | 1 |
| StereoCon |
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