2-Amino-4-chloro-5-fluoropyrimidine

C₄H₃ClFN₃CAS 1683-75-6147.54 g/mol

Open in Covalent MOL file

Aryl halide Primary 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 Å²
H-bond donors / acceptors: 1 / 3
Rotatable bonds: 0

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)

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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

2,4-Dichloro-5-fluoropyrimidine2927-71-161 % similar 2-Chloro-3-fluoro-6-methylpyridine374633-32-638 % similar 4-Chloro-1H-pyrazolo[3,4-D]pyrimidin-6-amine100644-65-338 % similar 2-Chloro-3-fluoro-5-methylpyridine34552-15-337 % similar 2-Chloro-5-fluoro-3-pyridinamine884495-37-837 % similar 4,6-Dichloro-5-fluoropyrimidine213265-83-937 % similar 5-Amino-4,6-dichloropyrimidine5413-85-437 % similar 2-Chloro-3-fluoropyridine17282-04-136 % similar

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

Same formula

2-Chloro-5-fluoro-4-pyrimidinamine155-10-2

Elsewhere

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