2,4-dichloro-5H,7H-furo[3,4-d]pyrimidine

• ChemBase ID: 287933
• Molecular Formular: C6H4Cl2N2O
• Molecular Mass: 191.01476
• Monoisotopic Mass: 189.97006812
• SMILES: Clc1c2c(COC2)nc(Cl)n1
• Canonical SMILES: Clc1nc(Cl)c2c(n1)COC2
• InChI: InChI=1S/C6H4Cl2N2O/c7-5-3-1-11-2-4(3)9-6(8)10-5/h1-2H2
• InChIKey: WRAAHQVXMZLMQR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,4-dichloro-5H,7H-furo[3,4-d]pyrimidine
• IUPAC Traditional name: 2,4-dichloro-5H,7H-furo[3,4-d]pyrimidine
• Synonyms: 2,4-Dichloro-5,7-dihydrofuro[3,4-d]pyrimidine

Database IDs

• CAS Number: 848398-41-4
• PubChem SID: 180673464
• PubChem CID: 23125094

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 1.4909836
• LogD (pH = 7.4): 1.4909836
• Log P: 1.4909836
• Molar Refractivity: 43.6865 cm^3
• Polarizability: 16.286274 Å^3
• Polar Surface Area: 35.01 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%