Chemical Name - Pyrimidine
Mol Weight - 80.0898
Smiles - c1cncnc1
Mol Weight - 80.0898
Smiles - c1cncnc1
| Property Value | |
| Mol Name | Pyrimidine |
| Molweight | 80.0898 |
| Monoisotopic Mass | 80.037448 |
| Clogp | 0.0964 |
| Clogs | -0.612 |
| H Acceptors | 2 |
| Total Surface Area | 70.78 |
| Relative Psa | 0.30997 |
| Polar Surface Area | 25.78 |
| Druglikeness | -1.8447 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Shape Index | 0.66667 |
| Molecular Complexity | 0.53648 |
| Fragments | 1 |
| Non H Atoms | 6 |
| Non Ch Atoms | 2 |
| Electronegative Atoms | 2 |
| Rings Closures | 1 |
| Small Rings | 1 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Symmetric Atoms | 2 |
| Aromatic Nitrogens | 2 |
| Smiles | c1cncnc1 |
| InChIKey | InChI=1S/C4H4N2/c1-2-5-4-6-3-1/h1-4H |
| InChI | CZPWVGJYEJSRLH-UHFFFAOYSA-N |
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1 - Pyrimidine
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