N-[(Z)-[phenyl(pyrimidin-2-yl)methylidene]amino]pyrazin-2-amine
Formula:C15H12N6
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-[phenyl(pyrimidin-2-yl)methylidene]amino]pyrazin-2-amine is a drug-like molecule.
| MolName | N-[(Z)-[phenyl(pyrimidin-2-yl)methylidene]amino]pyrazin-2-amine |
| MolecularFormula | C15H12N6 |
| Smiles | c(cc1)ccc1/C(/c1ncccn1)=N/Nc1nccnc1 |
| InChI | InChI=1S/C15H12N6/c1-2-5-12(6-3-1)14(15-18-7-4-8-19-15)21-20-13-11-16-9-10-17-13/h1-11H,(H,17,20) |
| InChIK | APLKMCNBLJUBDB-UHFFFAOYSA-N |
| TotalMolweight | 276.302 |
| Molweight | 276.302 |
| MonoisotopicMass | 276.112344 |
| CLogP | 2.7135 |
| CLogS | -2.14 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 222.25 |
| Relative PSA | 0.30079 |
| PolarSurfaceArea | 75.95 |
| Druglikeness | 1.281 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.52381 |
| Fragments | 1 |
| Non HAtoms | 21 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 4 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Symmetricatoms | 4 |
| Aromatic Nitrogens | 4 |
| StereoCon |
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