N-[(Z)-(3-chlorophenyl)methylideneamino]-6-morpholin-4-ylpyrimidin-4-amine
Formula:C15H16N5OCl
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-(3-chlorophenyl)methylideneamino]-6-morpholin-4-ylpyrimidin-4-amine is a drug-like molecule.
| MolName | N-[(Z)-(3-chlorophenyl)methylideneamino]-6-morpholin-4-ylpyrimidin-4-amine |
| MolecularFormula | C15H16N5OCl |
| Smiles | Clc1cc(/C=N\Nc2ncnc(N3CCOCC3)c2)ccc1 |
| InChI | InChI=1S/C15H16ClN5O/c16-13-3-1-2-12(8-13)10-19-20-14-9-15(18-11-17-14)21-4-6-22-7-5-21/h1-3,8-11H,4-7H2,(H,17,18,20) |
| InChIK | QBMHQNUBALRXMT-UHFFFAOYSA-N |
| TotalMolweight | 317.779 |
| Molweight | 317.779 |
| MonoisotopicMass | 317.104337 |
| CLogP | 4.2555 |
| CLogS | -4.034 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 244.02 |
| Relative PSA | 0.23957 |
| PolarSurfaceArea | 62.64 |
| Druglikeness | 3.3122 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.63636 |
| Fragments | 1 |
| Non HAtoms | 22 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 4 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 5 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 2 |
| BasicNitrogens | 2 |
| StereoCon |
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