chempirical

2-Amino-4-hydroxy-6-trifluoromethylpyrimidine

C5H4F3N3OCAS 1513-69-5179.10 g/mol

Open in Covalent MOL file
NHNONH2FFF
Alkyl halidePrimary amine

Properties

Molecular formula
C5H4F3N3O
Molar mass
179.10 g/mol
Exact mass
179.0306 Da
logP
0.37Crippen estimate
Polar surface area
71.8 Ų
H-bond donors / acceptors
2 / 3
Rotatable bonds
0

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number
1513-69-5
SMILES
C1=C(N=C(NC1=O)N)C(F)(F)F
InChIKey
ZEPSVMLZBXDPGU-UHFFFAOYSA-N
InChI
InChI=1S/C5H4F3N3O/c6-5(7,8)2-1-3(12)11-4(9)10-2/h1H,(H3,9,10,11,12)

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Names and synonyms

1 names
  • 2-Amino-4-hydroxy-6-(trifluoromethyl)pyrimidine

Work with 2-Amino-4-hydroxy-6-trifluoromethylpyrimidine

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

4-Hydroxy-2-methyl-6-(trifluoromethyl)pyrimidine2836-44-465 % similar 2-(Methylsulfanyl)-6-(trifluoromethyl)pyrimidin-4-ol16097-62-457 % similar 2-Amino-6-phenylpyrimidin-4-ol56741-94-747 % similar 2-Amino-6-ethylpyrimidin-4-ol5734-66-747 % similar 4-Hydroxy-6-(trifluoromethyl)pyrimidine1546-78-747 % similar 2-(Trifluoromethyl)pyrimidine-4,6-diol672-47-944 % similar 6-(Trifluoromethyl)-2,3-dihydropyridazin-3-one174607-36-441 % similar 6-(Trifluoromethyl)uracil672-45-741 % similar

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

Elsewhere

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