2-(benzyloxy)pyrimidin-4-amine

• ChemBase ID: 66895
• Molecular Formular: C11H11N3O
• Molecular Mass: 201.22454
• Monoisotopic Mass: 201.09021199
• SMILES: c1(nc(ccn1)N)OCc1ccccc1
• Canonical SMILES: Nc1ccnc(n1)OCc1ccccc1
• InChI: InChI=1S/C11H11N3O/c12-10-6-7-13-11(14-10)15-8-9-4-2-1-3-5-9/h1-7H,8H2,(H2,12,13,14)
• InChIKey: WLTMBHWSPFMLHL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(benzyloxy)pyrimidin-4-amine
• IUPAC Traditional name: 2-(benzyloxy)pyrimidin-4-amine
• Synonyms: 2-(Phenylmethoxy)-4-pyrimidinamine

Database IDs

• CAS Number: 60722-67-0
• MDL Number: MFCD09909666
• PubChem SID: 162032631
• PubChem CID: 308510

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 1.9813544
• LogD (pH = 7.4): 2.0597503
• Log P: 2.060855
• Molar Refractivity: 58.758 cm^3
• Polarizability: 21.788685 Å^3
• Polar Surface Area: 61.03 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 95+%