N-[(Z)-[phenyl(pyridin-2-yl)methylidene]amino]pyrimidin-4-amine
Formula:C16H13N5
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-[phenyl(pyridin-2-yl)methylidene]amino]pyrimidin-4-amine is a drug-like molecule.
| MolName | N-[(Z)-[phenyl(pyridin-2-yl)methylidene]amino]pyrimidin-4-amine |
| MolecularFormula | C16H13N5 |
| Smiles | c(cc1)ccc1/C(/c1ncccc1)=N/Nc1ncncc1 |
| InChI | InChI=1S/C16H13N5/c1-2-6-13(7-3-1)16(14-8-4-5-10-18-14)21-20-15-9-11-17-12-19-15/h1-12H,(H,17,19,20) |
| InChIK | GIWZVVFHOPDRFU-UHFFFAOYSA-N |
| TotalMolweight | 275.314 |
| Molweight | 275.314 |
| MonoisotopicMass | 275.117095 |
| CLogP | 3.8789 |
| CLogS | -3.675 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 223.49 |
| Relative PSA | 0.25003 |
| PolarSurfaceArea | 63.06 |
| Druglikeness | 1.281 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.52381 |
| Fragments | 1 |
| Non HAtoms | 21 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 4 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 3 |
| StereoCon |
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