methyl({[2-(morpholin-4-yl)pyrimidin-5-yl]methyl})amine

• ChemBase ID: 101511
• Molecular Formular: C10H16N4O
• Molecular Mass: 208.26024
• Monoisotopic Mass: 208.13241115
• SMILES: c1(ncc(cn1)CNC)N1CCOCC1
• Canonical SMILES: CNCc1cnc(nc1)N1CCOCC1
• InChI: InChI=1S/C10H16N4O/c1-11-6-9-7-12-10(13-8-9)14-2-4-15-5-3-14/h7-8,11H,2-6H2,1H3
• InChIKey: PFYPMSRZQMFCJO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: methyl({[2-(morpholin-4-yl)pyrimidin-5-yl]methyl})amine
• IUPAC Traditional name: methyl({[2-(morpholin-4-yl)pyrimidin-5-yl]methyl})amine
• Synonyms: N-methyl-(2-morpholinopyrimidin-5-yl)methylamine

Database IDs

• CAS Number: 937796-14-0
• MDL Number: MFCD09966161
• PubChem SID: 162087582
• PubChem CID: 42556099

CALCULATED PROPERTIES

• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): -2.8721137
• LogD (pH = 7.4): -1.4172808
• Log P: 0.17641371
• Molar Refractivity: 59.4194 cm^3
• Polarizability: 22.220877 Å^3
• Polar Surface Area: 50.28 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 97%