4-(5-fluoro-2-hydrazinylpyrimidin-4-yl)morpholine

• ChemBase ID: 307704
• Molecular Formular: C8H12FN5O
• Molecular Mass: 213.2121832
• Monoisotopic Mass: 213.10258825
• SMILES: n1c(c(cnc1NN)F)N1CCOCC1
• Canonical SMILES: NNc1ncc(c(n1)N1CCOCC1)F
• InChI: InChI=1S/C8H12FN5O/c9-6-5-11-8(13-10)12-7(6)14-1-3-15-4-2-14/h5H,1-4,10H2,(H,11,12,13)
• InChIKey: GUQPHPDSFPNIPH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(5-fluoro-2-hydrazinylpyrimidin-4-yl)morpholine
• IUPAC Traditional name: 4-(5-fluoro-2-hydrazinylpyrimidin-4-yl)morpholine
• Synonyms: 4-(5-fluoro-2-hydrazinopyrimidin-4-yl)morpholine

Database IDs

• CAS Number: 118121-89-4
• MDL Number: MFCD00181489

CALCULATED PROPERTIES

• H Acceptors: 6
• H Donor: 2
• LogD (pH = 5.5): -0.42896768
• LogD (pH = 7.4): 0.6199839
• Log P: 0.74686694
• Molar Refractivity: 56.408 cm^3
• Polarizability: 19.385782 Å^3
• Polar Surface Area: 76.3 Å^2