chempirical

2-Amino-5-bromo-6-methyl-4-pyrimidinol

C5H6BrN3OCAS 6307-35-3204.03 g/mol

Open in Covalent MOL file
NHNHNHOBr
Aryl halidePhenol

Properties

Molecular formula
C5H6BrN3O
Molar mass
204.03 g/mol
Exact mass
202.9694 Da
Melting point
249–250 °C
logP
0.67Crippen estimate
Polar surface area
72.8 Ų
H-bond donors / acceptors
3 / 3
Rotatable bonds
0

Identifiers

CAS number
6307-35-3
SMILES
Cc1[nH]c(=N)nc(O)c1Br
InChIKey
ADLWOFHKMXUDKF-UHFFFAOYSA-N
InChI
InChI=1S/C5H6BrN3O/c1-2-3(6)4(10)9-5(7)8-2/h1H3,(H3,7,8,9,10)

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

10 names
  • 4(3H)-Pyrimidinone, 2-amino-5-bromo-6-methyl-
  • 4(1H)-Pyrimidinone, 2-amino-5-bromo-6-methyl-
  • 4-Pyrimidinol, 2-amino-5-bromo-6-methyl-
  • 2-Amino-5-bromo-6-methyl-4(3H)-pyrimidinone
  • 2-Amino-5-bromo-6-methyl-4-pyrimidinone
  • 5-Bromo-6-methylisocytosine
  • U 25166
  • NSC 41319
  • 2-Amino-5-bromo-6-methyl-3,4-dihydropyrimidin-4-one
  • 2-Amino-5-bromo-6-methyl-1H-pyrimidin-4-one

Work with 2-Amino-5-bromo-6-methyl-4-pyrimidinol

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

2-Amino-5,6-dimethyl-4(3H)-pyrimidinone3977-23-965 % similar 6,7-Dimethylpterin611-55-245 % similar 4-Hydroxy-2,5,6-triaminopyrimidine1004-75-741 % similar 2,5-Diamino-4,6-dihydroxypyrimidine40769-69-541 % similar 2,6-Diamino-5-nitroso-4(3H)-pyrimidinone2387-48-639 % similar 8-Azaguanine134-58-738 % similar Pterin2236-60-438 % similar 2-Amino-4-hydroxy-6-methylpyrimidine3977-29-538 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

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