1-aminopyrimidine-2,4-dione
Formula:C4H5N3O2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
1-aminopyrimidine-2,4-dione is a drug-like molecule.
| MolName | 1-aminopyrimidine-2,4-dione |
| MolecularFormula | C4H5N3O2 |
| Smiles | NN(C=CC(N1)=O)C1=O |
| InChI | InChI=1S/C4H5N3O2/c5-7-2-1-3(8)6-4(7)9/h1-2H,5H2,(H,6,8,9) |
| InChIK | IILMINFWXULDNN-UHFFFAOYSA-N |
| TotalMolweight | 127.103 |
| Molweight | 127.103 |
| MonoisotopicMass | 127.038177 |
| CLogP | -2.349 |
| CLogS | -1.108 |
| H Acceptors | 5 |
| H Donors | 2 |
| TotalSurfaceArea | 92.28 |
| Relative PSA | 0.61075 |
| PolarSurfaceArea | 75.43 |
| Druglikeness | -2.6279 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.66667 |
| Fragments | 1 |
| Non HAtoms | 9 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rings Closures | 1 |
| Small Rings | 1 |
| Sp3Atoms | 1 |
| Amides | 1 |
| StereoCon |
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1 - 1-aminopyrimidine-2,4-dione | 2 - 1-aminopyrimidine-2,4-dione
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