2-Amino-4-chloro-5-fluoropyrimidine

C4H3ClFN3CAS 1683-75-6147.54 g/mol

Open in Covalent MOL file
NNH2NClF
Aryl halidePrimary amine

Properties

Molecular formula
C4H3ClFN3
Molar mass
147.54 g/mol
Exact mass
147.0000 Da
logP
0.85Crippen estimate
Polar surface area
51.8 Ų
H-bond donors / acceptors
1 / 3
Rotatable bonds
0

Hazards

Warning
Irritant (GHS07)

Aggregated from the ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number
1683-75-6
SMILES
C1=C(C(=NC(=N1)N)Cl)F
InChIKey
JJSZXRDRSOBWAD-UHFFFAOYSA-N
InChI
InChI=1S/C4H3ClFN3/c5-3-2(6)1-8-4(7)9-3/h1H,(H2,7,8,9)

Weigh it out

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Names and synonyms

1 names
  • Pyrimidine, 2-amino-4-chloro-5-fluoro- (7ci,8ci)

Work with 2-Amino-4-chloro-5-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

4,5-Dichloropyrimidin-2-amine403854-21-764 % similar 2,4-Dichloro-5-fluoropyrimidine2927-71-161 % similar 5-Bromo-4-chloropyrimidin-2-amine1044767-99-855 % similar 2-Chloro-5-fluoropyridin-4-amine89510-90-741 % similar 2,6-Dichloro-3-fluoropyridine52208-50-141 % similar 2,6-Dichloro-5-fluoro-3-pyridinecarbonitrile82671-02-139 % similar 2-Chloro-3-fluoro-6-methylpyridine374633-32-638 % similar 4-Chloro-1H-pyrazolo[3,4-D]pyrimidin-6-amine100644-65-338 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

2-Chloro-5-fluoro-4-pyrimidinamine155-10-2 6-Chloro-5-fluoropyrimidin-4-amine851984-15-1

Elsewhere

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