2-Trifluoromethyl-pyrimidin-4-ol

C₅H₃F₃N₂OCAS 1546-80-1164.09 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₅H₃F₃N₂O
Molar mass: 164.09 g/mol
Exact mass: 164.0197 Da
logP: 0.79Crippen estimate
Polar surface area: 45.8 Å²
H-bond donors / acceptors: 1 / 2
Rotatable bonds: 0

Hazards

Warning

H302+H312+H332 Harmful if swallowed, in contact with skin or if inhaled14.3% of notifiers
H302 Harmful if swallowed28.6% of notifiers
H312 Harmful in contact with skin14.3% of notifiers
H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H332 Harmful if inhaled14.3% of notifiers
H335 May cause respiratory irritation100% of notifiers

Aggregated from 7 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

1546-80-1

SMILES

C1=CN=C(NC1=O)C(F)(F)F

InChIKey

PDCVDVCPQWFGAX-UHFFFAOYSA-N

InChI

InChI=1S/C5H3F3N2O/c6-5(7,8)4-9-2-1-3(11)10-4/h1-2H,(H,9,10,11)

Weigh it out

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

Names and synonyms

1 names

4-Hydroxy-2-(trifluoromethyl)pyrimidine

Work with 2-Trifluoromethyl-pyrimidin-4-ol

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-(Trifluoromethyl)pyrimidine-4,6-diol672-47-947 % similar 2-Methyl-1,4-dihydropyrimidin-4-one19875-04-847 % similar 2-Hydroxy-6-(trifluoromethyl)pyridine34486-06-145 % similar 4-(Trifluoromethyl)-2-pyrimidinethiol136547-17-639 % similar 2-(Trifluoromethyl)-3,4-dihydroquinazolin-4-one26059-81-438 % similar 2-Hydroxy-5-trifluoromethylpyridine33252-63-037 % similar 6-(Trifluoromethyl)uracil672-45-736 % similar 2-Amino-4-hydroxy-6-trifluoromethylpyrimidine1513-69-536 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

2-Hydroxy-4-(trifluoromethyl)pyrimidine104048-92-2 4-Hydroxy-6-(trifluoromethyl)pyrimidine1546-78-7 1-(Trifluoroacetyl)imidazole1546-79-8 6-(Trifluoromethyl)-2,3-dihydropyridazin-3-one174607-36-4

Elsewhere

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