N-[(Z)-benzylideneamino]-2,6-dimorpholin-4-ylpyrimidin-4-amine
Formula:C19H24N6O2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-benzylideneamino]-2,6-dimorpholin-4-ylpyrimidin-4-amine is a drug-like molecule.
| MolName | N-[(Z)-benzylideneamino]-2,6-dimorpholin-4-ylpyrimidin-4-amine |
| MolecularFormula | C19H24N6O2 |
| Smiles | C(COCC1)N1c1cc(N/N=C\c2ccccc2)nc(N2CCOCC2)n1 |
| InChI | InChI=1S/C19H24N6O2/c1-2-4-16(5-3-1)15-20-23-17-14-18(24-6-10-26-11-7-24)22-19(21-17)25-8-12-27-13-9-25/h1-5,14-15H,6-13H2,(H,21,22,23) |
| InChIK | CZGWXYLLXFDESJ-UHFFFAOYSA-N |
| TotalMolweight | 368.44 |
| Molweight | 368.44 |
| MonoisotopicMass | 368.196074 |
| CLogP | 3.688 |
| CLogS | -3.672 |
| H Acceptors | 8 |
| H Donors | 1 |
| TotalSurfaceArea | 290.44 |
| Relative PSA | 0.24793 |
| PolarSurfaceArea | 75.11 |
| Druglikeness | 3.2985 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.51852 |
| Fragments | 1 |
| Non HAtoms | 27 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 5 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 10 |
| Symmetricatoms | 6 |
| Aromatic Nitrogens | 2 |
| BasicNitrogens | 2 |
| StereoCon |
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1 - N-[(Z)-benzylideneamino]-2,6-dimorpholin-4-ylpyrimidin-4-amine | 2 - N-[(Z)-benzylideneamino]-2,6-dimorpholin-4-ylpyrimidin-4-amine
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