2-phenylpyrimidin-4-amine

• ChemBase ID: 238702
• Molecular Formular: C10H9N3
• Molecular Mass: 171.19856
• Monoisotopic Mass: 171.0796473
• SMILES: n1c(nccc1N)c1ccccc1
• Canonical SMILES: Nc1ccnc(n1)c1ccccc1
• InChI: InChI=1S/C10H9N3/c11-9-6-7-12-10(13-9)8-4-2-1-3-5-8/h1-7H,(H2,11,12,13)
• InChIKey: KSFORUTXEPGVOW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-phenylpyrimidin-4-amine
• IUPAC Traditional name: 2-phenylpyrimidin-4-amine
• Synonyms: 2-phenylpyrimidin-4-amine

Database IDs

• MDL Number: MFCD11043737
• PubChem SID: 164294612
• PubChem CID: 12403617

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 1.8354346
• LogD (pH = 7.4): 2.2351017
• Log P: 2.2437246
• Molar Refractivity: 63.1473 cm^3
• Polarizability: 19.970036 Å^3
• Polar Surface Area: 51.8 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.774

Product Information

• Purity: 95%