6-chloro-2-(morpholin-4-yl)pyrimidin-4-amine

• ChemBase ID: 308168
• Molecular Formular: C8H11ClN4O
• Molecular Mass: 214.65214
• Monoisotopic Mass: 214.06213867
• SMILES: c1(nc(cc(n1)Cl)N)N1CCOCC1
• Canonical SMILES: Nc1cc(Cl)nc(n1)N1CCOCC1
• InChI: InChI=1S/C8H11ClN4O/c9-6-5-7(10)12-8(11-6)13-1-3-14-4-2-13/h5H,1-4H2,(H2,10,11,12)
• InChIKey: CAPWCRRKZOKFTE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-chloro-2-(morpholin-4-yl)pyrimidin-4-amine
• IUPAC Traditional name: 6-chloro-2-(morpholin-4-yl)pyrimidin-4-amine
• Synonyms: 6-chloro-2-(4-morpholinyl)-4-pyrimidinamine

Database IDs

• CAS Number: 3549-05-1
• MDL Number: MFCD09864565

CALCULATED PROPERTIES

• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): 1.1155927
• LogD (pH = 7.4): 1.2065235
• Log P: 1.2078183
• Molar Refractivity: 57.0514 cm^3
• Polarizability: 20.176918 Å^3
• Polar Surface Area: 64.27 Å^2