Mol Weight - 142.186
Smiles - Nc1nc(S)nc(N)c1
| Property Name | Property Value |
| Mol Name | 4,6-Diamino-2-Mercapto Pyrimidine |
| Molweight | 142.186 |
| Monoisotopic Mass | 142.031316 |
| Clogp | -0.3723 |
| Clogs | -2.689 |
| H Acceptors | 4 |
| H Donors | 2 |
| Total Surface Area | 103.68 |
| Relative Psa | 0.72425 |
| Polar Surface Area | 116.62 |
| Druglikeness | -4.155 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | 1 |
| Shape Index | 0.55556 |
| Molecular Complexity | 0.67701 |
| Fragments | 1 |
| Non H Atoms | 9 |
| Non Ch Atoms | 5 |
| Electronegative Atoms | 5 |
| Rings Closures | 1 |
| Small Rings | 1 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3 Atoms | 1 |
| Symmetric Atoms | 3 |
| Aromatic Nitrogens | 2 |
| Basic Nitrogens | 2 |
| Smiles | Nc1nc(S)nc(N)c1 |
| InChIKey | InChI=1S/C4H6N4S/c5-2-1-3(6)8-4(9)7-2/h1H,(H5,5,6,7,8,9) |
| InChI | QCAWOHUJKPKOMD-UHFFFAOYSA-N |
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1 — 4,6-Diamino-2-Mercapto Pyrimidine | 2 — 4,6-Diamino-2-Mercapto Pyrimidine