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| Ligand Name: 6-methyl-5-[(1E)-3-oxobut-1-en-1-yl]pyrimidine-2,4(1H,3H)-dione |
| Ligand Type: non-polymer |
| Ligand ID: COVPDB1203 |
PubChem:
145946112
|
Synonym(s):
- chebi:149702
- 6-methyl-5-[(1e)-3-oxobut-1-en-1-yl]uracil
- 6-methyl-5-[(1e)-3-oxo-1-buten1-yl]-2,4(1h,3h)-pyrimidinedione
show 2 synonym(s)
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| DrugBank: - |
ChEMBL: - |
| Canonical SMILES: CC(=O)/C=C/c1c(C)[nH]c(=O)[nH]c1=O |
| Standard InChI: InChI=1S/C9H10N2O3/c1-5(12)3-4-7-6(2)10-9(14)11-8(7)13/h3-4H,1-2H3,(H2,10,11,13,14)/b4-3+ |
| Molecular Formula: C9H10N2O3 |
Mol. Weight: 194.06914 |
logP: -0.02618 |
| HBD: 2 | HBA: 3 |
| #Rotatable Bonds: 2 | TPSA: 82.79 |