N-[(E)-3-phenylprop-2-enyl]pyrimidin-2-amine
Formula:C13H13N3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(E)-3-phenylprop-2-enyl]pyrimidin-2-amine is a drug-like molecule.
| MolName | N-[(E)-3-phenylprop-2-enyl]pyrimidin-2-amine |
| MolecularFormula | C13H13N3 |
| Smiles | C(/C=C/c1ccccc1)Nc1ncccn1 |
| InChI | InChI=1S/C13H13N3/c1-2-6-12(7-3-1)8-4-9-14-13-15-10-5-11-16-13/h1-8,10-11H,9H2,(H,14,15,16) |
| InChIK | OXNHZPINOBNXQX-UHFFFAOYSA-N |
| TotalMolweight | 211.267 |
| Molweight | 211.267 |
| MonoisotopicMass | 211.110947 |
| CLogP | 2.2922 |
| CLogS | -2.783 |
| H Acceptors | 3 |
| H Donors | 1 |
| TotalSurfaceArea | 182.26 |
| Relative PSA | 0.18325 |
| PolarSurfaceArea | 37.81 |
| Druglikeness | 0.016042 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.75 |
| Fragments | 1 |
| Non HAtoms | 16 |
| NonCHAtoms | 3 |
| Electronegative Atoms | 3 |
| Rotatable Bond | 4 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 1 |
| Symmetricatoms | 4 |
| Aromatic Nitrogens | 2 |
| StereoCon |
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