chempirical

2,4-Diamino-6-fluoropyrimidine

C4H5FN4CAS 696-83-3128.11 g/mol

Open in Covalent MOL file
NNFNH2NH2
Aryl halidePrimary amine

Properties

Molecular formula
C4H5FN4
Molar mass
128.11 g/mol
Exact mass
128.0498 Da
logP
-0.22Crippen estimate
Polar surface area
77.8 Ų
H-bond donors / acceptors
2 / 4
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
696-83-3
SMILES
C1=C(N=C(N=C1F)N)N
InChIKey
BOVQRQCKNKKBOR-UHFFFAOYSA-N
InChI
InChI=1S/C4H5FN4/c5-2-1-3(6)9-4(7)8-2/h1H,(H4,6,7,8,9)

Weigh it out

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Names and synonyms

1 names
  • 6-Fluoropyrimidine-2,4-diamine

Work with 2,4-Diamino-6-fluoropyrimidine

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-Difluoropyrimidin-4-amine675-12-762 % similar 6-(4-Fluorophenyl)pyrimidine-2,4-diamine175137-25-448 % similar 4-Amino-2,6-difluoropyridine63489-58-746 % similar 2,6-Diamino-4-methoxy pyrimidine3270-97-145 % similar 2,4-Diamino-6-piperidinopyrimidine24867-26-342 % similar 6-Fluoropyridin-2-amine1597-32-641 % similar 2,4,6-Trifluoropyridine3512-17-238 % similar 2,4,6-Trifluoropyrimidine696-82-238 % similar

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

Elsewhere

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