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Substance Name: 1(2H)-Pyrimidinecarboxamide, N-butyl-5-fluoro-3,4-dihydro-2,4-dioxo-
RN: 64098-82-4
InChIKey: PVSNDBKXSKXPHM-UHFFFAOYSA-N

Molecular Formula

  • C9-H12-F-N3-O3

Molecular Weight

  • 229.2098
 
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Names and Synonyms

Synonym

  • N-Butyl-5-fluoro-3,4-dihydro-2,4-dioxo-1(2H)-pyrimidinecarboxamide

Systematic Name

  • 1(2H)-Pyrimidinecarboxamide, N-butyl-5-fluoro-3,4-dihydro-2,4-dioxo-

Registry Numbers

CAS Registry Number

  • 64098-82-4

System Generated Number

  • 0064098824

Structure Descriptors

InChI

1S/C9H12FN3O3/c1-2-3-4-11-8(15)13-5-6(10)7(14)12-9(13)16/h5H,2-4H2,1H3,(H,11,15)(H,12,14,16)

InChIKey

PVSNDBKXSKXPHM-UHFFFAOYSA-N

Smiles

CCCCNC(=O)n1cc(c(=O)[nH]c1=O)F

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 136 deg C   EXP
pKa Dissociation Constant 6.7 (none) 22 EXP
log P (octanol-water) 1.44 (none)   EXP
Water Solubility 820 mg/L 22 EXP
Vapor Pressure 6.44E-11 mm Hg 25 EST
Henry's Law Constant 5.19E-15 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 1.43E-11 cm3/molecule-sec 25 EST

Physical property data is provided to ChemIDplus by SRC, Inc.