2,4-Diamino-5-fluoroquinazoline

C₈H₇FN₄CAS 119584-70-2178.17 g/mol

Open in Covalent MOL file

Aryl halide Primary amine

Properties

Molecular formula: C₈H₇FN₄
Molar mass: 178.17 g/mol
Exact mass: 178.0655 Da
logP: 0.93Crippen estimate
Polar surface area: 77.8 Å²
H-bond donors / acceptors: 2 / 4
Rotatable bonds: 0

Identifiers

CAS number

119584-70-2

SMILES

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

InChIKey

ZFIDHZVBIBPRBQ-UHFFFAOYSA-N

InChI

InChI=1S/C8H7FN4/c9-4-2-1-3-5-6(4)7(10)13-8(11)12-5/h1-3H,(H4,10,11,12,13)

Weigh it out

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

Names and synonyms

1 names

2,4-Quinazolinediamine, 5-fluoro-

Work with 2,4-Diamino-5-fluoroquinazoline

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-Difluoroaniline5509-65-938 % similar 2,3-Difluoroaniline4519-40-833 % similar 2-[(1S)-1-Aminopropyl]-5-fluoro-3-phenyl-4(3H)-quinazolinone870281-86-033 % similar 2-Chloro-3-fluorobenzenamine21397-08-032 % similar 2-Chloro-6-fluoroaniline363-51-932 % similar 3-Fluoro-2-methylaniline443-86-732 % similar 2-Bromo-6-fluorobenzenamine65896-11-932 % similar 2-Fluoroaniline348-54-932 % similar

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

Elsewhere

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