4-[(E)-2-(2,6-dichlorophenyl)ethenyl]pyrimidin-2-amine
Formula:C12H9N3Cl2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:low
4-[(E)-2-(2,6-dichlorophenyl)ethenyl]pyrimidin-2-amine is a drug-like molecule.
| MolName | 4-[(E)-2-(2,6-dichlorophenyl)ethenyl]pyrimidin-2-amine |
| MolecularFormula | C12H9N3Cl2 |
| Smiles | Nc1nccc(/C=C/c(c(Cl)ccc2)c2Cl)n1 |
| InChI | InChI=1S/C12H9Cl2N3/c13-10-2-1-3-11(14)9(10)5-4-8-6-7-16-12(15)17-8/h1-7H,(H2,15,16,17) |
| InChIK | VJYIFHVNPXXRNM-UHFFFAOYSA-N |
| TotalMolweight | 266.13 |
| Molweight | 266.13 |
| MonoisotopicMass | 265.017351 |
| CLogP | 3.2616 |
| CLogS | -4.591 |
| H Acceptors | 3 |
| H Donors | 1 |
| TotalSurfaceArea | 196.4 |
| Relative PSA | 0.18946 |
| PolarSurfaceArea | 51.8 |
| Druglikeness | -1.2964 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | low |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.58824 |
| Fragments | 1 |
| Non HAtoms | 17 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 2 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Symmetricatoms | 3 |
| Aromatic Nitrogens | 2 |
| StereoCon |
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1 - 4-[(E)-2-(2,6-dichlorophenyl)ethenyl]pyrimidin-2-amine | 2 - 4-[(E)-2-(2,6-dichlorophenyl)ethenyl]pyrimidin-2-amine
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