5-fluoro-2-(morpholin-4-yl)pyrimidin-4-amine

• ChemBase ID: 310773
• Molecular Formular: C8H11FN4O
• Molecular Mass: 198.1975432
• Monoisotopic Mass: 198.09168921
• SMILES: n1c(ncc(c1N)F)N1CCOCC1
• Canonical SMILES: Fc1cnc(nc1N)N1CCOCC1
• InChI: InChI=1S/C8H11FN4O/c9-6-5-11-8(12-7(6)10)13-1-3-14-4-2-13/h5H,1-4H2,(H2,10,11,12)
• InChIKey: XVIWRBYNWKOXGN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-fluoro-2-(morpholin-4-yl)pyrimidin-4-amine
• IUPAC Traditional name: 5-fluoro-2-(morpholin-4-yl)pyrimidin-4-amine
• Synonyms: 5-fluoro-2-(4-morpholinyl)-4-pyrimidinamine

Database IDs

• CAS Number: 312928-75-9
• MDL Number: MFCD00462145

CALCULATED PROPERTIES

• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): 0.3519342
• LogD (pH = 7.4): 0.5235593
• Log P: 0.5262984
• Molar Refractivity: 51.4017 cm^3
• Polarizability: 17.953802 Å^3
• Polar Surface Area: 64.27 Å^2