4-[(4-methylpyrimidin-2-yl)oxy]aniline

• ChemBase ID: 236522
• Molecular Formular: C11H11N3O
• Molecular Mass: 201.22454
• Monoisotopic Mass: 201.09021199
• SMILES: c1(nc(ccn1)C)Oc1ccc(N)cc1
• Canonical SMILES: Nc1ccc(cc1)Oc1nccc(n1)C
• InChI: InChI=1S/C11H11N3O/c1-8-6-7-13-11(14-8)15-10-4-2-9(12)3-5-10/h2-7H,12H2,1H3
• InChIKey: WUJSEFXXGLGZOF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-[(4-methylpyrimidin-2-yl)oxy]aniline
• IUPAC Traditional name: 4-[(4-methylpyrimidin-2-yl)oxy]aniline
• Synonyms: 4-[(4-methylpyrimidin-2-yl)oxy]aniline

Database IDs

• MDL Number: MFCD17258964
• PubChem SID: 164292432
• PubChem CID: 62959276

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 1.5224967
• LogD (pH = 7.4): 1.5311415
• Log P: 1.5312529
• Molar Refractivity: 58.201 cm^3
• Polarizability: 21.774714 Å^3
• Polar Surface Area: 61.03 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 119 - 121°C
• Hydrophobicity(logP): 1.058

Product Information

• Purity: 95%