6-(bromomethyl)-2,4-dimethyl-5H,6H-furo[2,3-d]pyrimidine

• ChemBase ID: 311910
• Molecular Formular: C9H11BrN2O
• Molecular Mass: 243.10044
• Monoisotopic Mass: 242.00547498
• SMILES: c12c(c(nc(n1)C)C)CC(O2)CBr
• Canonical SMILES: BrCC1Oc2c(C1)c(C)nc(n2)C
• InChI: InChI=1S/C9H11BrN2O/c1-5-8-3-7(4-10)13-9(8)12-6(2)11-5/h7H,3-4H2,1-2H3
• InChIKey: LRKSRMVQLTUVOM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-(bromomethyl)-2,4-dimethyl-5H,6H-furo[2,3-d]pyrimidine
• IUPAC Traditional name: 6-(bromomethyl)-2,4-dimethyl-5H,6H-furo[2,3-d]pyrimidine
• Synonyms: 6-(bromomethyl)-2,4-dimethyl-5,6-dihydrofuro[2,3-d]pyrimidine

Database IDs

• CAS Number: 78304-56-0
• MDL Number: MFCD03194374

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 2.0292275
• LogD (pH = 7.4): 2.0614347
• Log P: 2.0618615
• Molar Refractivity: 54.0215 cm^3
• Polarizability: 20.276674 Å^3
• Polar Surface Area: 35.01 Å^2