2-phenylpyrimidine

• ChemBase ID: 12421
• Molecular Formular: C10H8N2
• Molecular Mass: 156.18392
• Monoisotopic Mass: 156.06874827
• SMILES: c1cnc(nc1)c1ccccc1
• Canonical SMILES: c1ccc(cc1)c1ncccn1
• InChI: InChI=1S/C10H8N2/c1-2-5-9(6-3-1)10-11-7-4-8-12-10/h1-8H
• InChIKey: OXPDQFOKSZYEMJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-phenylpyrimidine
• IUPAC Traditional name: 2-phenylpyrimidine
• Synonyms: 2-Phenylpyrimidine

Database IDs

• CAS Number: 7431-45-0
• MDL Number: MFCD04038761
• PubChem SID: 160975728
• PubChem CID: 593578

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 2.3979821
• LogD (pH = 7.4): 2.3980613
• Log P: 2.3980625
• Molar Refractivity: 58.1334 cm^3
• Polarizability: 18.86179 Å^3
• Polar Surface Area: 25.78 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT; Irritant
• TSCA Listed: false

Product Information

• Purity: 99%