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

Hazards

Warning

H302 Harmful if swallowed100% of notifiers
H312 Harmful in contact with skin33.3% of notifiers
H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H332 Harmful if inhaled33.3% of notifiers
H335 May cause respiratory irritation100% of notifiers

Aggregated from 6 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

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

5-Fluoroquinazolin-4-amine137553-48-157 % similar 2,4-Dichloro-5-fluoroquinazoline87611-00-546 % similar 2-Amino-3-fluoropyridine21717-95-340 % similar 2,6-Difluoroaniline5509-65-938 % similar 2,6-Diamino-3,5-difluoropyridine247069-27-836 % similar 5-Fluoroquinazolin-4-ol436-72-636 % similar 2-Amino-4-chloro-5-fluoropyrimidine1683-75-633 % similar 2,3-Difluoroaniline4519-40-833 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

PubChem CAS Common Chemistry NIST WebBook