4-(2,4-dichlorophenyl)-N,N,6-trimethylpyrimidin-2-amine

• ChemBase ID: 537245
• Molecular Formular: C13H13Cl2N3
• Molecular Mass: 282.16842
• Monoisotopic Mass: 281.04865279
• SMILES: c1(nc(c2c(cc(cc2)Cl)Cl)cc(n1)C)N(C)C
• Canonical SMILES: Clc1ccc(c(c1)Cl)c1cc(C)nc(n1)N(C)C
• InChI: InChI=1S/C13H13Cl2N3/c1-8-6-12(17-13(16-8)18(2)3)10-5-4-9(14)7-11(10)15/h4-7H,1-3H3
• InChIKey: RHQGVBXDWUVHLE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 4.189524
• LogD (pH = 7.4): 4.2088485
• Log P: 4.2091007
• Molar Refractivity: 76.0622 cm^3
• Polarizability: 29.815844 Å^3
• Polar Surface Area: 29.02 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 2
• H Donor: 0
• Log P: 4.38
• LOG S: -5.0
• Polar Surface Area: 29.02 Å^2
• Rotatable Bonds: 2