N-[(Z)-benzylideneamino]-6-morpholin-4-ylpyrimidin-4-amine
Formula:C15H17N5O
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-benzylideneamino]-6-morpholin-4-ylpyrimidin-4-amine is a drug-like molecule.
| MolName | N-[(Z)-benzylideneamino]-6-morpholin-4-ylpyrimidin-4-amine |
| MolecularFormula | C15H17N5O |
| Smiles | C(COCC1)N1c1ncnc(N/N=C\c2ccccc2)c1 |
| InChI | InChI=1S/C15H17N5O/c1-2-4-13(5-3-1)11-18-19-14-10-15(17-12-16-14)20-6-8-21-9-7-20/h1-5,10-12H,6-9H2,(H,16,17,19) |
| InChIK | SWJIMUAFVTZVII-UHFFFAOYSA-N |
| TotalMolweight | 283.334 |
| Molweight | 283.334 |
| MonoisotopicMass | 283.14331 |
| CLogP | 3.6495 |
| CLogS | -3.298 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 228.6 |
| Relative PSA | 0.25573 |
| PolarSurfaceArea | 62.64 |
| Druglikeness | 3.2985 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.66667 |
| Fragments | 1 |
| Non HAtoms | 21 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 4 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 5 |
| Symmetricatoms | 4 |
| Aromatic Nitrogens | 2 |
| BasicNitrogens | 2 |
| StereoCon |
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