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

• ChemBase ID: 162354
• Molecular Formular: C20H19FN2O4
• Molecular Mass: 370.3742632
• Monoisotopic Mass: 370.13288532
• SMILES: n1(cc(c(=O)n(c1=O)Cc1ccc(cc1)OC)F)Cc1ccc(cc1)OC
• Canonical SMILES: COc1ccc(cc1)Cn1cc(F)c(=O)n(c1=O)Cc1ccc(cc1)OC
• InChI: InChI=1S/C20H19FN2O4/c1-26-16-7-3-14(4-8-16)11-22-13-18(21)19(24)23(20(22)25)12-15-5-9-17(27-2)10-6-15/h3-10,13H,11-12H2,1-2H3
• InChIKey: GXYGWQHJJWACMQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-fluoro-1,3-bis[(4-methoxyphenyl)methyl]-1,2,3,4-tetrahydropyrimidine-2,4-dione
• IUPAC Traditional name: 5-fluoro-1,3-bis[(4-methoxyphenyl)methyl]pyrimidine-2,4-dione
• Synonyms: 5-Fluoro-1,3-bis[(4-methoxyphenyl)methyl]-2,4(1H,3H)-pyrimidinedione; 1,3-Bis(4-methoxybenzyl)-5-fluorouracil

Database IDs

• CAS Number: 897304-05-1
• PubChem SID: 162256489
• PubChem CID: 23656844

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 2.9251077
• LogD (pH = 7.4): 2.9251077
• Log P: 2.9251077
• Molar Refractivity: 98.1172 cm^3
• Polarizability: 37.189083 Å^3
• Polar Surface Area: 59.08 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Solubility: Chloroform; Dimethylformamide; DMSO; Ethyl Acetate
• Apperance: White Solid

DETAILS

Toronto Research Chemicals - B486700

An Intermediate for the synthesis of uracil derivatives.