4-(2,4-dichlorophenyl)-6-methoxypyrimidin-2-amine

• ChemBase ID: 689837
• Molecular Formular: C11H9Cl2N3O
• Molecular Mass: 270.11466
• Monoisotopic Mass: 269.01226728
• SMILES: n1c(nc(c2c(cc(cc2)Cl)Cl)cc1OC)N
• Canonical SMILES: COc1nc(N)nc(c1)c1ccc(cc1Cl)Cl
• InChI: InChI=1S/C11H9Cl2N3O/c1-17-10-5-9(15-11(14)16-10)7-3-2-6(12)4-8(7)13/h2-5H,1H3,(H2,14,15,16)
• InChIKey: XXIUNJPNCIXWEE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(2,4-dichlorophenyl)-6-methoxypyrimidin-2-amine
• IUPAC Traditional name: 4-(2,4-dichlorophenyl)-6-methoxypyrimidin-2-amine
• Synonyms: 4-(2,4-dichlorophenyl)-6-methoxypyrimidin-2-amine

CALCULATED PROPERTIES

JChem

• Acid pKa: 16.039772
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 3.5647542
• LogD (pH = 7.4): 3.5773833
• Log P: 3.5775468
• Molar Refractivity: 68.5192 cm^3
• Polarizability: 26.91377 Å^3
• Polar Surface Area: 61.03 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 3.91
• LOG S: -4.51
• Polar Surface Area: 61.03 Å^2
• Rotatable Bonds: 2