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

• ChemBase ID: 63453
• Molecular Formular: C6H2Cl2N2O
• Molecular Mass: 188.99888
• Monoisotopic Mass: 187.95441805
• SMILES: c1oc2c(nc(Cl)nc2Cl)c1
• Canonical SMILES: Clc1nc(Cl)c2c(n1)cco2
• InChI: InChI=1S/C6H2Cl2N2O/c7-5-4-3(1-2-11-4)9-6(8)10-5/h1-2H
• InChIKey: OTFDNOQBJWBJJM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• CAS Number: 956034-07-4
• MDL Number: MFCD11520866
• PubChem SID: 162029192
• PubChem CID: 45789968

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 2.3274813
• LogD (pH = 7.4): 2.3274813
• Log P: 2.3274813
• Molar Refractivity: 42.5561 cm^3
• Polarizability: 16.973797 Å^3
• Polar Surface Area: 38.92 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: >95%; 95+%

DETAILS

Toronto Research Chemicals - D434555

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