5-bromo-N-[(Z)-(3-chlorophenyl)methylideneamino]pyrimidin-2-amine
Formula:C11H8N4BrCl
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
5-bromo-N-[(Z)-(3-chlorophenyl)methylideneamino]pyrimidin-2-amine is a drug-like molecule.
| MolName | 5-bromo-N-[(Z)-(3-chlorophenyl)methylideneamino]pyrimidin-2-amine |
| MolecularFormula | C11H8N4BrCl |
| Smiles | Clc1cccc(/C=N\Nc(nc2)ncc2Br)c1 |
| InChI | InChI=1S/C11H8BrClN4/c12-9-6-14-11(15-7-9)17-16-5-8-2-1-3-10(13)4-8/h1-7H,(H,14,15,17) |
| InChIK | XDAXHXIJRCQBLR-UHFFFAOYSA-N |
| TotalMolweight | 311.57 |
| Molweight | 311.57 |
| MonoisotopicMass | 309.962084 |
| CLogP | 4.9784 |
| CLogS | -3.986 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 200.81 |
| Relative PSA | 0.22364 |
| PolarSurfaceArea | 50.17 |
| Druglikeness | 0.59454 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.70588 |
| Fragments | 1 |
| Non HAtoms | 17 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 3 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 2 |
| StereoCon |
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