N-[(Z)-pyridin-4-ylmethylideneamino]-7H-purin-6-amine
Formula:C11H9N7
Mutagenic:high
Tumorigenic:high
Reproductive Effective:low
N-[(Z)-pyridin-4-ylmethylideneamino]-7H-purin-6-amine is a drug-like molecule.
| MolName | N-[(Z)-pyridin-4-ylmethylideneamino]-7H-purin-6-amine |
| MolecularFormula | C11H9N7 |
| Smiles | C(c1ccncc1)=N\Nc1ncnc2c1[nH]cn2 |
| InChI | InChI=1S/C11H9N7/c1-3-12-4-2-8(1)5-17-18-11-9-10(14-6-13-9)15-7-16-11/h1-7H,(H2,13,14,15,16,18) |
| InChIK | VSUISSQJCHNTLD-UHFFFAOYSA-N |
| TotalMolweight | 239.241 |
| Molweight | 239.241 |
| MonoisotopicMass | 239.091943 |
| CLogP | 2.5107 |
| CLogS | -2.931 |
| H Acceptors | 7 |
| H Donors | 2 |
| TotalSurfaceArea | 188.45 |
| Relative PSA | 0.42897 |
| PolarSurfaceArea | 91.74 |
| Druglikeness | 3.068 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | low |
| Irritant | high |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.61111 |
| Fragments | 1 |
| Non HAtoms | 18 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 3 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 15 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 5 |
| BasicNitrogens | 1 |
| StereoCon |
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