2,4-dichlorofuro[2,3-d]pyrimidine

• ChemBase ID: 167068
• Molecular Formular: C6H2Cl2N2O
• Molecular Mass: 188.99888
• Monoisotopic Mass: 187.95441805
• SMILES: n1c(nc2c(c1Cl)cco2)Cl
• Canonical SMILES: Clc1nc(Cl)c2c(n1)occ2
• InChI: InChI=1S/C6H2Cl2N2O/c7-4-3-1-2-11-5(3)10-6(8)9-4/h1-2H
• InChIKey: RJHMENBSHWUDOO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,4-dichlorofuro[2,3-d]pyrimidine
• IUPAC Traditional name: 2,4-dichlorofuro[2,3-d]pyrimidine
• Synonyms: 2,4-Dichlorofuro[2,3-d]pyrimidine

Database IDs

• CAS Number: 1000577-84-3
• PubChem SID: 162261201
• PubChem CID: 44630668

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 2.309093
• LogD (pH = 7.4): 2.309093
• Log P: 2.309093
• Molar Refractivity: 42.8807 cm^3
• Polarizability: 16.338789 Å^3
• Polar Surface Area: 38.92 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

DETAILS

Toronto Research Chemicals - D434550

A furopyrimidine derivative used in the preparation of phosphoinositide 3-kinase inhibitor.