CDD-0102 hydrochlorideProduct ingredient for CDD-0102
- Name
- CDD-0102 hydrochloride
- Drug Entry
- CDD-0102
- Accession Number
- DBSALT003233
- Structure
Structure for CDD-0102 hydrochloride (DBSALT003233)
- Synonyms
- 5-(3-Ethyl-1,2,4-Oxadiazol-5-yl)-1,4,5,6-Tetrahydropyrimidine Hydrochloride / MCD-386CR / Pyrimidine, 5-(3-ethyl-1,2,4-oxadiazol-5-yl)-1,4,5,6-tetrahydro-, hydrochloride (1:1)
- UNII
- 6P87MRR8OA
- CAS Number
- 1196130-86-5
- Weight
- Average: 216.67
Monoisotopic: 216.0777888 - Chemical Formula
- C8H13ClN4O
- InChI Key
- FVWAMONNJGNNHY-UHFFFAOYSA-N
- InChI
- InChI=1S/C8H12N4O.ClH/c1-2-7-11-8(13-12-7)6-3-9-5-10-4-6;/h5-6H,2-4H2,1H3,(H,9,10);1H
- IUPAC Name
- 5-(3-ethyl-1,2,4-oxadiazol-5-yl)-1,4,5,6-tetrahydropyrimidine hydrochloride
- SMILES
- Cl.CCC1=NOC(=N1)C1CNC=NC1
- External Links
- ChemSpider
- 32698099
- Predicted Properties
Property Value Source Water Solubility 1.6 mg/mL ALOGPS logP 0.51 ALOGPS logP 0.63 Chemaxon logS -2 ALOGPS pKa (Strongest Acidic) 16.73 Chemaxon pKa (Strongest Basic) 10.39 Chemaxon Physiological Charge 1 Chemaxon Hydrogen Acceptor Count 4 Chemaxon Hydrogen Donor Count 1 Chemaxon Polar Surface Area 63.31 Å2 Chemaxon Rotatable Bond Count 2 Chemaxon Refractivity 48.42 m3·mol-1 Chemaxon Polarizability 18.67 Å3 Chemaxon Number of Rings 2 Chemaxon Bioavailability 1 Chemaxon Rule of Five Yes Chemaxon Ghose Filter Yes Chemaxon Veber's Rule No Chemaxon MDDR-like Rule No Chemaxon