N-[(Z)-[5-(4-bromophenyl)furan-2-yl]methylideneamino]-2,6-dipyrrolidin-1-ylpyrimidin-4-amine
Formula:C23H25N6OBr
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
N-[(Z)-[5-(4-bromophenyl)furan-2-yl]methylideneamino]-2,6-dipyrrolidin-1-ylpyrimidin-4-amine is not a drug-like molecule.
| MolName | N-[(Z)-[5-(4-bromophenyl)furan-2-yl]methylideneamino]-2,6-dipyrrolidin-1-ylpyrimidin-4-amine |
| MolecularFormula | C23H25N6OBr |
| Smiles | Brc(cc1)ccc1-c1ccc(/C=N\Nc2nc(N3CCCC3)nc(N3CCCC3)c2)o1 |
| InChI | InChI=1S/C23H25BrN6O/c24-18-7-5-17(6-8-18)20-10-9-19(31-20)16-25-28-21-15-22(29-11-1-2-12-29)27-23(26-21)30-13-3-4-14-30/h5-10,15-16H,1-4,11-14H2,(H,26,27,28) |
| InChIK | OLNGQGXMHYMEAV-UHFFFAOYSA-N |
| TotalMolweight | 481.397 |
| Molweight | 481.397 |
| MonoisotopicMass | 480.12732 |
| CLogP | 6.9961 |
| CLogS | -7.204 |
| H Acceptors | 7 |
| H Donors | 1 |
| TotalSurfaceArea | 338.52 |
| Relative PSA | 0.19532 |
| PolarSurfaceArea | 69.79 |
| Druglikeness | 4.0267 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.54839 |
| Fragments | 1 |
| Non HAtoms | 31 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 6 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Sp3Atoms | 8 |
| Symmetricatoms | 6 |
| Aromatic Nitrogens | 2 |
| BasicNitrogens | 2 |
| StereoCon |
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