5-methyl-(211C)1H-pyrimidine-2,4-dione
PubChem CID: 11557282
Connections displayed (default: 10).
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| Topological Polar Surface Area | 58.2 |
|---|---|
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 9.0 |
| Isotope Atom Count | 1.0 |
| Molecular Complexity | 195.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 5-methyl-(211C)1H-pyrimidine-2,4-dione |
| Prediction Hob | 1.0 |
| Xlogp | -0.6 |
| Molecular Formula | C5H6N2O2 |
| Prediction Swissadme | 0.0 |
| Inchi Key | RWQNBRDOKXIBIV-SFIIULIVSA-N |
| Fcsp3 | 0.2 |
| Logs | -1.486 |
| Rotatable Bond Count | 0.0 |
| Logd | -0.05 |
| Compound Name | 5-methyl-(211C)1H-pyrimidine-2,4-dione |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 125.054 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 125.054 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 125.11 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -1.4366490216533332 |
| Inchi | InChI=1S/C5H6N2O2/c1-3-2-6-5(9)7-4(3)8/h2H,1H3,(H2,6,7,8,9)/i5-1 |
| Smiles | CC1=CN[11C](=O)NC1=O |
| Nring | 1.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Fritillaria Anhuiensis (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Fritillaria Przewalskii (Plant) Rel Props:Source_db:cmaup_ingredients - 3. Outgoing r'ship
FOUND_INto/from Fritillaria Ussuriensis (Plant) Rel Props:Source_db:cmaup_ingredients - 4. Outgoing r'ship
FOUND_INto/from Laggera Alata (Plant) Rel Props:Source_db:cmaup_ingredients