(3Z)-3-(anilinomethylidene)-1-pyrimidin-2-ylpyrrolidin-2-one
Formula:C15H14N4O
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(3Z)-3-(anilinomethylidene)-1-pyrimidin-2-ylpyrrolidin-2-one is a drug-like molecule.
| MolName | (3Z)-3-(anilinomethylidene)-1-pyrimidin-2-ylpyrrolidin-2-one |
| MolecularFormula | C15H14N4O |
| Smiles | O=C(/C(/CC1)=C\Nc2ccccc2)N1c1ncccn1 |
| InChI | InChI=1S/C15H14N4O/c20-14-12(11-18-13-5-2-1-3-6-13)7-10-19(14)15-16-8-4-9-17-15/h1-6,8-9,11,18H,7,10H2 |
| InChIK | AHQZCMJYBADUCL-UHFFFAOYSA-N |
| TotalMolweight | 266.303 |
| Molweight | 266.303 |
| MonoisotopicMass | 266.116761 |
| CLogP | 1.3086 |
| CLogS | -2.927 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 208.78 |
| Relative PSA | 0.23944 |
| PolarSurfaceArea | 58.12 |
| Druglikeness | 4.5231 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.65 |
| Fragments | 1 |
| Non HAtoms | 20 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 3 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 2 |
| Symmetricatoms | 4 |
| Amides | 1 |
| Aromatic Nitrogens | 2 |
| StereoCon |
Click to Load Molecule:
1 - (3Z)-3-(anilinomethylidene)-1-pyrimidin-2-ylpyrrolidin-2-one | 2 - (3Z)-3-(anilinomethylidene)-1-pyrimidin-2-ylpyrrolidin-2-one
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off