N-[(Z)-(4-bromophenyl)methylideneamino]-2,6-dipyrrolidin-1-ylpyrimidin-4-amine
Formula:C19H23N6Br
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-(4-bromophenyl)methylideneamino]-2,6-dipyrrolidin-1-ylpyrimidin-4-amine is not a drug-like molecule.
| MolName | N-[(Z)-(4-bromophenyl)methylideneamino]-2,6-dipyrrolidin-1-ylpyrimidin-4-amine |
| MolecularFormula | C19H23N6Br |
| Smiles | Brc1ccc(/C=N\Nc2nc(N3CCCC3)nc(N3CCCC3)c2)cc1 |
| InChI | InChI=1S/C19H23BrN6/c20-16-7-5-15(6-8-16)14-21-24-17-13-18(25-9-1-2-10-25)23-19(22-17)26-11-3-4-12-26/h5-8,13-14H,1-4,9-12H2,(H,22,23,24) |
| InChIK | OYWYDXXBCYKASN-UHFFFAOYSA-N |
| TotalMolweight | 415.338 |
| Molweight | 415.338 |
| MonoisotopicMass | 414.116755 |
| CLogP | 6.0572 |
| CLogS | -5.744 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 289.07 |
| Relative PSA | 0.17992 |
| PolarSurfaceArea | 56.65 |
| Druglikeness | 2.4601 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.53846 |
| Fragments | 1 |
| Non HAtoms | 26 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 5 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 8 |
| Symmetricatoms | 6 |
| Aromatic Nitrogens | 2 |
| BasicNitrogens | 2 |
| StereoCon |
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