1,3-bis[(benzyloxy)methyl]-5-fluoro-1,2,3,4-tetrahydropyrimidine-2,4-dione

• ChemBase ID: 166914
• Molecular Formular: C20H19FN2O4
• Molecular Mass: 370.3742632
• Monoisotopic Mass: 370.13288532
• SMILES: c1(=O)n(cc(c(=O)n1COCc1ccccc1)F)COCc1ccccc1
• Canonical SMILES: O=c1n(COCc2ccccc2)cc(c(=O)n1COCc1ccccc1)F
• InChI: InChI=1S/C20H19FN2O4/c21-18-11-22(14-26-12-16-7-3-1-4-8-16)20(25)23(19(18)24)15-27-13-17-9-5-2-6-10-17/h1-11H,12-15H2
• InChIKey: XRGJHDWFSNOWRO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1,3-bis[(benzyloxy)methyl]-5-fluoro-1,2,3,4-tetrahydropyrimidine-2,4-dione
• IUPAC Traditional name: 1,3-bis[(benzyloxy)methyl]-5-fluoropyrimidine-2,4-dione
• Synonyms: 5-Fluoro-1,3-bis[(phenylmethoxy)methyl]-2,4(1H,3H)-pyrimidinedione; 1,3-Di(benzyloxymethyl)-5-fluorouracil

Database IDs

• CAS Number: 75500-03-7
• PubChem SID: 162261047
• PubChem CID: 13016437

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 3.3667011
• LogD (pH = 7.4): 3.3667011
• Log P: 3.3667011
• Molar Refractivity: 96.8968 cm^3
• Polarizability: 37.218773 Å^3
• Polar Surface Area: 59.08 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Solubility: Chloroform; Methanol
• Apperance: White Solid

Safety Information

• Storage Condition: -20°C Freezer