Thymine
Representations & DB's id
| ||
| ChEBI: | CHEBI:17821 | |
|---|---|---|
| ChEMBL: | CHEMBL993 | |
| PubChem: | 1135 | |
| IUPAC: | 5-methyl-1H-pyrimidine-2,4-dione | |
| Standard InChI: | InChI=1S/C5H6N2O2/c1-3-2-6-5(9)7-4(3)8/h2H,1H3,(H2,6,7,8,9) | |
| Standard InChI Key: | RWQNBRDOKXIBIV-UHFFFAOYSA-N | |
| SMILES: | Oc1ncc(c(n1)O)C | |
Molecular propeties
| ||
| AlogP: | -0.63 | |
|---|---|---|
| Hydrogen bonds acceptors: | 2 | |
| Hydrogen bonds donors: | 2 | |
| Rotatable bonds: | 0 | |
| Number of rings: | 1 | |
| Molecular Weight: | 126.04 | |
| Topological polar surface area: | 58.2 | |
| Number of aromatic rings: | 1 | |
| Fsp3: | 0.2 | |
| Number of carbons: | 5 | |