2,4-dichloro-6-(4-methoxyphenyl)pyrimidine

• ChemBase ID: 293173
• Molecular Formular: C11H8Cl2N2O
• Molecular Mass: 255.10002
• Monoisotopic Mass: 254.00136825
• SMILES: COc1ccc(c2cc(Cl)nc(Cl)n2)cc1
• Canonical SMILES: COc1ccc(cc1)c1cc(Cl)nc(n1)Cl
• InChI: InChI=1S/C11H8Cl2N2O/c1-16-8-4-2-7(3-5-8)9-6-10(12)15-11(13)14-9/h2-6H,1H3
• InChIKey: QYHGNJWTEXUEGF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,4-dichloro-6-(4-methoxyphenyl)pyrimidine
• IUPAC Traditional name: 2,4-dichloro-6-(4-methoxyphenyl)pyrimidine
• Synonyms: 2,4-Dichloro-6-(4-methoxyphenyl)pyrimidine

Database IDs

• CAS Number: 163263-91-0
• MDL Number: MFCD18074237
• PubChem SID: 180678704
• PubChem CID: 22618163

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 3.657912
• LogD (pH = 7.4): 3.657912
• Log P: 3.657912
• Molar Refractivity: 65.3144 cm^3
• Polarizability: 25.942074 Å^3
• Polar Surface Area: 35.01 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%; 97%