chempirical

2-Amino-4,6-bis(difluoromethoxy)pyrimidine

C6H5F4N3O2CAS 86209-44-1227.12 g/mol

Open in Covalent MOL file
NNOFFNH2OFF
Alkyl halideEtherPrimary amine

Properties

Molecular formula
C6H5F4N3O2
Molar mass
227.12 g/mol
Exact mass
227.0318 Da
logP
1.26Crippen estimate
Polar surface area
70.3 Ų
H-bond donors / acceptors
1 / 5
Rotatable bonds
4

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
86209-44-1
SMILES
C1=C(N=C(N=C1OC(F)F)N)OC(F)F
InChIKey
DARNJZBBTBLNCA-UHFFFAOYSA-N
InChI
InChI=1S/C6H5F4N3O2/c7-4(8)14-2-1-3(15-5(9)10)13-6(11)12-2/h1,4-5H,(H2,11,12,13)

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Names and synonyms

1 names
  • 4,6-Bis(difluoromethoxy)pyrimidin-2-amine

Work with 2-Amino-4,6-bis(difluoromethoxy)pyrimidine

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

2,6-Diamino-4-methoxy pyrimidine3270-97-138 % similar 4-(Difluoromethoxy)aniline22236-10-838 % similar 2,4-Diamino-6-fluoropyrimidine696-83-338 % similar 3-(Difluoromethoxy)aniline22236-08-437 % similar 4-Methoxy-6-methylpyrimidin-2-amine7749-47-537 % similar 2-(Difluoromethoxy)aniline22236-04-035 % similar 2,6-Diamino-3,5-difluoropyridine247069-27-833 % similar 2-Amino-4,6-dibromopyrimidine856973-26-733 % similar

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

Elsewhere

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