N-[(Z)-1,3-benzodioxol-5-ylmethylideneamino]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine
Formula:C16H16N5O3F
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-1,3-benzodioxol-5-ylmethylideneamino]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine is a drug-like molecule.
| MolName | N-[(Z)-1,3-benzodioxol-5-ylmethylideneamino]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine |
| MolecularFormula | C16H16N5O3F |
| Smiles | Fc1c(N2CCOCC2)nc(N/N=C\c(cc2)cc3c2OCO3)nc1 |
| InChI | InChI=1S/C16H16FN5O3/c17-12-9-18-16(20-15(12)22-3-5-23-6-4-22)21-19-8-11-1-2-13-14(7-11)25-10-24-13/h1-2,7-9H,3-6,10H2,(H,18,20,21) |
| InChIK | GOZKBPAAKDSZHE-UHFFFAOYSA-N |
| TotalMolweight | 345.333 |
| Molweight | 345.333 |
| MonoisotopicMass | 345.123718 |
| CLogP | 3.8798 |
| CLogS | -4.069 |
| H Acceptors | 8 |
| H Donors | 1 |
| TotalSurfaceArea | 255.21 |
| Relative PSA | 0.30743 |
| PolarSurfaceArea | 81.1 |
| Druglikeness | 1.8781 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.6 |
| Fragments | 1 |
| Non HAtoms | 25 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 4 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 9 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 2 |
| BasicNitrogens | 2 |
| StereoCon |
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1 - N-[(Z)-1,3-benzodioxol-5-ylmethylideneamino]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine | 2 - N-[(Z)-1,3-benzodioxol-5-ylmethylideneamino]-5-fluoro-4-morpholin-4-ylpyrimidin-2-amine
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