2,6-bis(azepan-1-yl)-N-[(E)-benzylideneamino]pyrimidin-4-amine
Formula:C23H32N6
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2,6-bis(azepan-1-yl)-N-[(E)-benzylideneamino]pyrimidin-4-amine is not a drug-like molecule.
| MolName | 2,6-bis(azepan-1-yl)-N-[(E)-benzylideneamino]pyrimidin-4-amine |
| MolecularFormula | C23H32N6 |
| Smiles | C(CCC1)CCN1c1cc(N/N=C/c2ccccc2)nc(N2CCCCCC2)n1 |
| InChI | InChI=1S/C23H32N6/c1-2-9-15-28(14-8-1)22-18-21(27-24-19-20-12-6-5-7-13-20)25-23(26-22)29-16-10-3-4-11-17-29/h5-7,12-13,18-19H,1-4,8-11,14-17H2,(H,25,26,27) |
| InChIK | DZLCPDKSRYZORF-UHFFFAOYSA-N |
| TotalMolweight | 392.549 |
| Molweight | 392.549 |
| MonoisotopicMass | 392.268844 |
| CLogP | 6.7 |
| CLogS | -5.99 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 325.48 |
| Relative PSA | 0.15979 |
| PolarSurfaceArea | 56.65 |
| Druglikeness | 0.31944 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.48276 |
| Fragments | 1 |
| Non HAtoms | 29 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 5 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 12 |
| Symmetricatoms | 8 |
| Aromatic Nitrogens | 2 |
| BasicNitrogens | 2 |
| StereoCon |
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