N-[(Z)-(4-nitrophenyl)methylideneamino]-2,6-dipyrrolidin-1-ylpyrimidin-4-amine
Formula:C19H23N7O2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-(4-nitrophenyl)methylideneamino]-2,6-dipyrrolidin-1-ylpyrimidin-4-amine is a drug-like molecule.
| MolName | N-[(Z)-(4-nitrophenyl)methylideneamino]-2,6-dipyrrolidin-1-ylpyrimidin-4-amine |
| MolecularFormula | C19H23N7O2 |
| Smiles | [O-][N+](c1ccc(/C=N\Nc2nc(N3CCCC3)nc(N3CCCC3)c2)cc1)=O |
| InChI | InChI=1S/C19H23N7O2/c27-26(28)16-7-5-15(6-8-16)14-20-23-17-13-18(24-9-1-2-10-24)22-19(21-17)25-11-3-4-12-25/h5-8,13-14H,1-4,9-12H2,(H,21,22,23) |
| InChIK | KDBRFZASNWTBNZ-UHFFFAOYSA-N |
| TotalMolweight | 381.439 |
| Molweight | 381.439 |
| MonoisotopicMass | 381.191323 |
| CLogP | 4.0696 |
| CLogS | -5.37 |
| H Acceptors | 9 |
| H Donors | 1 |
| TotalSurfaceArea | 294.11 |
| Relative PSA | 0.28027 |
| PolarSurfaceArea | 102.47 |
| Druglikeness | -1.0912 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; imine/hydrazone of aldehyde |
| Shape Index | 0.53571 |
| Fragments | 1 |
| Non HAtoms | 28 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 6 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 9 |
| Symmetricatoms | 6 |
| Aromatic Nitrogens | 2 |
| BasicNitrogens | 2 |
| AcidicOxygens | 1 |
| StereoCon |
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