2-(Trifluoromethyl)pyrimidine-4,6-diol

C₅H₃F₃N₂O₂CAS 672-47-9180.09 g/mol

Open in Covalent MOL file

Alkyl halide Phenol

Properties

Molecular formula: C₅H₃F₃N₂O₂
Molar mass: 180.09 g/mol
Exact mass: 180.0147 Da
logP: 0.49Crippen estimate
Polar surface area: 66.0 Å²
H-bond donors / acceptors: 2 / 3
Rotatable bonds: 0

Hazards

Warning

H302+H312+H332 Harmful if swallowed, in contact with skin or if inhaled16.7% of notifiers
H302 Harmful if swallowed16.7% of notifiers
H312 Harmful in contact with skin16.7% of notifiers
H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H332 Harmful if inhaled16.7% 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

672-47-9

SMILES

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

InChIKey

AMGBKPNVGVAFEN-UHFFFAOYSA-N

InChI

InChI=1S/C5H3F3N2O2/c6-5(7,8)4-9-2(11)1-3(12)10-4/h1H,(H2,9,10,11,12)

Weigh it out

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

Work with 2-(Trifluoromethyl)pyrimidine-4,6-diol

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-pyrimidin-4-ol1546-80-147 % similar 2-Amino-4-hydroxy-6-trifluoromethylpyrimidine1513-69-544 % similar 4-Hydroxy-2-methyl-6-(trifluoromethyl)pyrimidine2836-44-444 % similar 2-(Methylsulfanyl)-6-(trifluoromethyl)pyrimidin-4-ol16097-62-441 % similar 2,6-Dihydroxy-4-(trifluoromethyl)nicotinonitrile3335-46-439 % similar 6-Methyl-4-(trifluoromethyl)-2(1H)-pyridone22123-19-938 % similar 2,3-Dihydro-2-thioxo-6-(trifluoromethyl)-4(1H)-pyrimidinone368-54-738 % similar 2-(Trifluoromethyl)-3,4-dihydroquinazolin-4-one26059-81-438 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

3-(Trifluoromethyl)-1H-pyrazole-5-carboxylic acid129768-28-1 Trifluoromethyluracil54-20-6 6-(Trifluoromethyl)uracil672-45-7

Elsewhere

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