6-(4-Fluorophenyl)pyrimidine-2,4-diamine

C₁₀H₉FN₄CAS 175137-25-4204.21 g/mol

Open in Covalent MOL file

Aryl halide Primary amine

Properties

Molecular formula: C₁₀H₉FN₄
Molar mass: 204.21 g/mol
Exact mass: 204.0811 Da
logP: 1.45Crippen estimate
Polar surface area: 77.8 Å²
H-bond donors / acceptors: 2 / 4
Rotatable bonds: 1

Hazards

Warning

H302 Harmful if swallowed100% of notifiers
H319 Causes serious eye irritation100% of notifiers

Aggregated from 40 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P264, P264+P265, P270, P280, P301+P317, P305+P351+P338, P330, P337+P317, P501

Identifiers

CAS number

175137-25-4

SMILES

C1=CC(=CC=C1C2=CC(=NC(=N2)N)N)F

InChIKey

UJHDGCSPZQBXEB-UHFFFAOYSA-N

InChI

InChI=1S/C10H9FN4/c11-7-3-1-6(2-4-7)8-5-9(12)15-10(13)14-8/h1-5H,(H4,12,13,14,15)

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Names and synonyms

1 names

2,4-Diamino-6-(4-fluorophenyl)pyrimidine

Work with 6-(4-Fluorophenyl)pyrimidine-2,4-diamine

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

4,6-Diphenylpyrimidin-2-amine40230-24-848 % similar 2,4-Diamino-6-fluoropyrimidine696-83-348 % similar 4-(4-Fluorophenyl)-1,3-thiazol-2-amine77815-14-645 % similar 4′-Fluoro[1,1′-biphenyl]-4-amine324-93-639 % similar 4,4′-Difluorobiphenyl398-23-238 % similar 2-(4-Fluorophenyl)pyridine58861-53-338 % similar 2-Amino-5-fluoropyridine21717-96-437 % similar 4'-Fluoro(1,1'-biphenyl)-3-amine10540-45-137 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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