2-(2,4-dichlorophenyl)-4-methoxypyrimidine

• ChemBase ID: 690330
• Molecular Formular: C11H8Cl2N2O
• Molecular Mass: 255.10002
• Monoisotopic Mass: 254.00136825
• SMILES: c1(c2c(cc(cc2)Cl)Cl)nc(ccn1)OC
• Canonical SMILES: COc1ccnc(n1)c1ccc(cc1Cl)Cl
• InChI: InChI=1S/C11H8Cl2N2O/c1-16-10-4-5-14-11(15-10)8-3-2-7(12)6-9(8)13/h2-6H,1H3
• InChIKey: MELQXIPTIAETTG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(2,4-dichlorophenyl)-4-methoxypyrimidine
• IUPAC Traditional name: 2-(2,4-dichlorophenyl)-4-methoxypyrimidine
• Synonyms: 2-(2,4-dichlorophenyl)-4-methoxypyrimidine

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 3.9561963
• LogD (pH = 7.4): 3.9567227
• Log P: 3.9567297
• Molar Refractivity: 74.5197 cm^3
• Polarizability: 25.113695 Å^3
• Polar Surface Area: 35.01 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 3.92
• LOG S: -4.41
• Polar Surface Area: 35.01 Å^2
• Rotatable Bonds: 2