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5-amino-3,6-dimethylpyrimidine-2,4(1H,3H)-dione ID: ALA5175323
Chembl Id: CHEMBL5175323
Cas Number: 142648-55-3
PubChem CID: 57357509
Max Phase: Preclinical
Molecular Formula: C6H9N3O2
Molecular Weight: 155.16
Associated Items:
Names and Identifiers Canonical SMILES: Cc1[nH]c(=O)n(C)c(=O)c1N
Standard InChI: InChI=1S/C6H9N3O2/c1-3-4(7)5(10)9(2)6(11)8-3/h7H2,1-2H3,(H,8,11)
Standard InChI Key: DMYXWQPNMMVHBF-UHFFFAOYSA-N
Associated Targets(Human) Molecule Features Natural Product: NoOral: NoChemical Probe: NoParenteral: NoMolecule Type: Topical: NoFirst In Class: NoBlack Box: NoChirality: NoAvailability: NoProdrug: No
Drug Indications MESH ID MESH Heading EFO IDs EFO Terms Max Phase for Indication References
Mechanisms of Action Mechanism of Action Action Type target ID Target Name Target Type Target Organism Binding Site Name References
Calculated Properties Molecular Weight: 155.16Molecular Weight (Monoisotopic): 155.0695AlogP: -1.04#Rotatable Bonds: ┄Polar Surface Area: 80.88Molecular Species: NEUTRALHBA: 4HBD: 2#RO5 Violations: ┄HBA (Lipinski): 5HBD (Lipinski): 3#RO5 Violations (Lipinski): ┄CX Acidic pKa: 10.74CX Basic pKa: ┄CX LogP: -1.31CX LogD: -1.31Aromatic Rings: 1Heavy Atoms: 11QED Weighted: 0.50Np Likeness Score: -0.66