Effect of water solvation on the lipophilicity of isomeric pyrimidine-carboxamides

Bioorganic and Medicinal Chemistry

Volumn 23, Issue 13, 2015, Pages 3408-3413

  Linton, Maria Angelica ^a   Burke, Benjamin J ^a   Johnson, Ted W ^a   Ninkovic, Sacha ^a   Gajiwala, Ketan S ^a   Richardson, Paul ^a   Le, Phuong T ^a  

^a PFIZER GLOBAL RESEARCH AND DEVELOPMENT   (United States)

Author keywords

Isomers; Lipophilicity; Lipophilicity calculators; Log D; Log P; Pyrimidines; Water solvation

Indexed keywords

2 METHOXYPYRIMIDINE 4 CARBOXAMIDE; 6 METHOXYPYRIMIDINE 2 CARBOXAMIDE; 6 METHOXYPYRIMIDINE 4 CARBOXAMIDE; AMIDE; NITROGEN; PYRIMIDINE; UNCLASSIFIED DRUG; PYRIMIDINE DERIVATIVE; WATER;

ARTICLE; ATOM; BINDING AFFINITY; BINDING SITE; CHEMICAL ANALYSIS; CHEMICAL STRUCTURE; CONCENTRATION (PARAMETERS); CONTROLLED STUDY; HYDROGEN BOND; ISOMER; LIPOPHILICITY; QUANTUM MECHANICS; SOLVATION; WATER ANALYSIS; CHEMICAL PHENOMENA; CHEMISTRY; ELECTRON; ISOMERISM; PH; SOLUBILITY; THERMODYNAMICS;

AMIDES; ELECTRONS; HYDROGEN-ION CONCENTRATION; HYDROPHOBIC AND HYDROPHILIC INTERACTIONS; ISOMERISM; MODELS, MOLECULAR; NITROGEN; PYRIMIDINES; SOLUBILITY; THERMODYNAMICS; WATER;

EID: 84937438041     PISSN: 09680896     EISSN: 14643391     Source Type: Journal    
DOI: 10.1016/j.bmc.2015.04.041     Document Type: Article

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