N-[(Z)-benzylideneamino]-2,6-dipyrrolidin-1-ylpyrimidin-4-amine
Formula:C19H24N6
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-benzylideneamino]-2,6-dipyrrolidin-1-ylpyrimidin-4-amine is not a drug-like molecule.
| MolName | N-[(Z)-benzylideneamino]-2,6-dipyrrolidin-1-ylpyrimidin-4-amine |
| MolecularFormula | C19H24N6 |
| Smiles | C(CC1)CN1c1cc(N/N=C\c2ccccc2)nc(N2CCCC2)n1 |
| InChI | InChI=1S/C19H24N6/c1-2-8-16(9-3-1)15-20-23-17-14-18(24-10-4-5-11-24)22-19(21-17)25-12-6-7-13-25/h1-3,8-9,14-15H,4-7,10-13H2,(H,21,22,23) |
| InChIK | WKUCAPVZVIGYRU-UHFFFAOYSA-N |
| TotalMolweight | 336.442 |
| Molweight | 336.442 |
| MonoisotopicMass | 336.206244 |
| CLogP | 5.332 |
| CLogS | -4.91 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 270.44 |
| Relative PSA | 0.19232 |
| PolarSurfaceArea | 56.65 |
| Druglikeness | 4.2501 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.52 |
| Fragments | 1 |
| Non HAtoms | 25 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 5 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 8 |
| Symmetricatoms | 6 |
| Aromatic Nitrogens | 2 |
| BasicNitrogens | 2 |
| StereoCon |
Click to Load Molecule:
1 - N-[(Z)-benzylideneamino]-2,6-dipyrrolidin-1-ylpyrimidin-4-amine | 2 - N-[(Z)-benzylideneamino]-2,6-dipyrrolidin-1-ylpyrimidin-4-amine
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off