4-(chloromethyl)-6-phenylpyrimidine

• ChemBase ID: 803761
• Molecular Formular: C11H9ClN2
• Molecular Mass: 204.65556
• Monoisotopic Mass: 204.04542598
• SMILES: c1c(ncnc1c1ccccc1)CCl
• Canonical SMILES: ClCc1ncnc(c1)c1ccccc1
• InChI: InChI=1S/C11H9ClN2/c12-7-10-6-11(14-8-13-10)9-4-2-1-3-5-9/h1-6,8H,7H2
• InChIKey: JJGBBAOIJGRQIR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(chloromethyl)-6-phenylpyrimidine
• IUPAC Traditional name: 4-(chloromethyl)-6-phenylpyrimidine
• Synonyms: 4-(CHLOROMETHYL)-6-PHENYLPYRIMIDINE

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 2.7515023
• LogD (pH = 7.4): 2.751525
• Log P: 2.7515252
• Molar Refractivity: 56.8312 cm^3
• Polarizability: 23.156425 Å^3
• Polar Surface Area: 25.78 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%