Buparlisib hydrochlorideProduct ingredient for Buparlisib
- Name
- Buparlisib hydrochloride
- Drug Entry
- Buparlisib
Buparlisib has been used in trials studying the treatment and basic science of Lymphoma, Metastases, Lung Cancer, Solid Tumors, and Breast Cancer, among others.
- Accession Number
- DBSALT002043
- Structure
Structure for Buparlisib hydrochloride (DBSALT002043)
- Synonyms
- Buparlisib HCl
- UNII
- 194LK4P5K1
- CAS Number
- 1312445-63-8
- Weight
- Average: 446.86
Monoisotopic: 446.1444862 - Chemical Formula
- C18H22ClF3N6O2
- InChI Key
- DGPLYAXBXJXEID-UHFFFAOYSA-N
- InChI
- InChI=1S/C18H21F3N6O2.ClH/c19-18(20,21)13-9-15(22)23-11-12(13)14-10-16(26-1-5-28-6-2-26)25-17(24-14)27-3-7-29-8-4-27;/h9-11H,1-8H2,(H2,22,23);1H
- IUPAC Name
- 5-[2,6-bis(morpholin-4-yl)pyrimidin-4-yl]-4-(trifluoromethyl)pyridin-2-amine hydrochloride
- SMILES
- Cl.NC1=CC(=C(C=N1)C1=NC(=NC(=C1)N1CCOCC1)N1CCOCC1)C(F)(F)F
- External Links
- ChemSpider
- 28637800
- ChEMBL
- CHEMBL2364604
- Predicted Properties
Property Value Source Water Solubility 0.81 mg/mL ALOGPS logP 2.44 ALOGPS logP 2.56 Chemaxon logS -2.7 ALOGPS pKa (Strongest Basic) 5.94 Chemaxon Physiological Charge 0 Chemaxon Hydrogen Acceptor Count 8 Chemaxon Hydrogen Donor Count 1 Chemaxon Polar Surface Area 89.63 Å2 Chemaxon Rotatable Bond Count 4 Chemaxon Refractivity 103.58 m3·mol-1 Chemaxon Polarizability 39.25 Å3 Chemaxon Number of Rings 4 Chemaxon Bioavailability 1 Chemaxon Rule of Five Yes Chemaxon Ghose Filter Yes Chemaxon Veber's Rule No Chemaxon MDDR-like Rule No Chemaxon