6-(Trifluoromethyl)pyrimidin-4-amine

C₅H₄F₃N₃CAS 672-41-3163.10 g/mol

Open in Covalent MOL file

Alkyl halide Primary amine

Properties

Molecular formula: C₅H₄F₃N₃
Molar mass: 163.10 g/mol
Exact mass: 163.0357 Da
logP: 1.08Crippen estimate
Polar surface area: 51.8 Å²
H-bond donors / acceptors: 1 / 3
Rotatable bonds: 0

Hazards

Warning

H302 Harmful if swallowed100% of notifiers
H312 Harmful in contact with skin100% of notifiers
H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H332 Harmful if inhaled100% of notifiers
H335 May cause respiratory irritation100% of notifiers

Aggregated from the 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

672-41-3

SMILES

C1=C(N=CN=C1N)C(F)(F)F

InChIKey

FIAIKJQZLXLGCR-UHFFFAOYSA-N

InChI

InChI=1S/C5H4F3N3/c6-5(7,8)3-1-4(9)11-2-10-3/h1-2H,(H2,9,10,11)

Weigh it out

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

Names and synonyms

1 names

6-Trifluoromethyl pyrimidin-4-ylamine

Work with 6-(Trifluoromethyl)pyrimidin-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

Pyrimidine-4,6-diamine2434-56-254 % similar 4-Chloro-6-trifluoromethylpyrimidine37552-81-153 % similar 2-Amino-4-(trifluoromethyl)pyridine106447-97-647 % similar 4-Amino-2-trifluoromethylpyridine147149-98-247 % similar 2-Amino-6-(trifluoromethyl)pyridine34486-24-344 % similar 6-Amino-4(3H)-pyrimidinone1193-22-243 % similar 4-Amino-6-chloropyrimidine5305-59-943 % similar 5-Amino-2-(trifluoromethyl)pyridine106877-33-239 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

2-Amino-4-(trifluoromethyl)pyrimidine16075-42-6 2-Amino-5-(trifluoromethyl)pyrazine69816-38-2

Elsewhere

PubChem CAS Common Chemistry NIST WebBook