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Home > Encyclopedia > 2-(2-butan-2-yloxyanilino)-6-oxo-1H-pyrimidine-5-carboxylic acid

2-(2-butan-2-yloxyanilino)-6-oxo-1H-pyrimidine-5-carboxylic acid

2-(2-butan-2-yloxyanilino)-6-oxo-1H-pyrimidine-5-carboxylic acid structure

2-(2-butan-2-yloxyanilino)-6-oxo-1H-pyrimidine-5-carboxylic acid 

structure
  • CAS No:

    98772-05-5

  • Formula:

    C15H17N3O4

  • Chemical Name:

    2-(2-butan-2-yloxyanilino)-6-oxo-1H-pyrimidine-5-carboxylic acid

  • Synonyms:

    1,6-dihydro-2-(2-(2-methylpropoxy)anilino)-6-oxo-5-pyrimidinecarboxylic acid;MAR 99;MAR-99;98772-05-5;Mar 99;BRN 5609020;SCHEMBL15659782;DTXSID20913087;2-(2-butan-2-yloxyanilino)-6-oxo-1H-pyrimidine-5-carboxylic acid;1,4-Dihydro-2-((2-(2-methylpropoxy)phenyl)amino)-4-oxo-5-pyrimidinecarboxylic acid;5-Pyrimidinecarboxylic acid, 1,4-dihydro-2-((2-(2-methylpropoxy)phenyl)amino)-4-oxo-;2-{2-[(Butan-2-yl)oxy]anilino}-4-hydroxypyrimidine-5-carboxylic acid

  • Categories:

    Pharmaceutical Intermediates  >  Bulk Drug Intermediates

2-(2-butan-2-yloxyanilino)-6-oxo-1H-pyrimidine-5-carboxylic acid Basic Attributes

303.31 g/mol

303.12190603 g/mol

Characteristics

100 Ų

2.3195

213 - 215 °C (dimethylformamide)

Toxicity

Name Type of Test Exposure Route Species Observed Dose/Duration Toxic Effects Reference
ACUTE TOXICITY DATA LD50 - Lethal dose, 50 percent kill Oral Rodent - mouse >3 gm/kg Details of toxic effects not reported other than lethal dose value-- Chemical and Pharmaceutical Bulletin. (Japan Pub. Trading Co., USA, 1255 Howard St., San Francisco, CA 94103) V.6- 1958- Volume(issue)/page/year: 37,1780,1989
ACUTE TOXICITY DATA LD50 - Lethal dose, 50 percent kill Intraperitoneal Rodent - mouse 780 mg/kg Details of toxic effects not reported other than lethal dose value-- Chemical and Pharmaceutical Bulletin. (Japan Pub. Trading Co., USA, 1255 Howard St., San Francisco, CA 94103) V.6- 1958- Volume(issue)/page/year: 37,1780,1989

Drug Information

1,6-dihydro-2-(2-(2-methylpropoxy)anilino)-6-oxo-5-pyrimidinecarboxylic acid

Computed Properties

Molecular Weight:303.31
XLogP3:2.2
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:6
Exact Mass:303.12190603
Monoisotopic Mass:303.12190603
Topological Polar Surface Area:100
Heavy Atom Count:22
Complexity:501
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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