5-Fluoroquinazolin-4-amine

C₈H₆FN₃CAS 137553-48-1163.16 g/mol

Open in Covalent MOL file

Aryl halide Primary amine

Properties

Molecular formula: C₈H₆FN₃
Molar mass: 163.16 g/mol
Exact mass: 163.0546 Da
logP: 1.35Crippen estimate
Polar surface area: 51.8 Å²
H-bond donors / acceptors: 1 / 3
Rotatable bonds: 0

Hazards

Warning

H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation100% of notifiers

Aggregated from 2 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

137553-48-1

SMILES

C1=CC2=C(C(=C1)F)C(=NC=N2)N

InChIKey

KKLLTCMELJRTDI-UHFFFAOYSA-N

InChI

InChI=1S/C8H6FN3/c9-5-2-1-3-6-7(5)8(10)12-4-11-6/h1-4H,(H2,10,11,12)

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

1 names

4-Amino-5-fluoroquinazoline

Work with 5-Fluoroquinazolin-4-amine

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-Diamino-5-fluoroquinazoline119584-70-257 % similar 2-Amino-3-fluoropyridine21717-95-345 % similar 5-Fluoroquinazolin-4-ol436-72-644 % similar 2,6-Difluoroaniline5509-65-939 % similar 2,3-Difluoroaniline4519-40-838 % similar Arprinocid55779-18-538 % similar 5H-Pyrrolo[3,2-D]pyrimidin-4-amine (9ci)2227-98-738 % similar 5,6-Dichloropyrimidin-4-amine310400-38-537 % similar

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

Elsewhere

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