Epirizole

C₁₁H₁₄N₄O₂CAS 18694-40-1234.26 g/mol

Open in Covalent MOL file

Ether

Properties

Molecular formula: C₁₁H₁₄N₄O₂
Molar mass: 234.26 g/mol
Exact mass: 234.1117 Da
Melting point: 90–92 °C
logP: 1.30Crippen estimate
Polar surface area: 62.1 Å²
H-bond donors / acceptors: 0 / 5
Rotatable bonds: 3

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 39 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

18694-40-1

SMILES

COc1cc(C)nc(-n2nc(C)cc2OC)n1

InChIKey

RHAXSHUQNIEUEY-UHFFFAOYSA-N

InChI

InChI=1S/C11H14N4O2/c1-7-5-9(16-3)13-11(12-7)15-10(17-4)6-8(2)14-15/h5-6H,1-4H3

Weigh it out

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

Names and synonyms

11 names

Pyrimidine, 4-methoxy-2-(5-methoxy-3-methyl-1H-pyrazol-1-yl)-6-methyl-
Pyrimidine, 4-methoxy-2-(5-methoxy-3-methylpyrazol-1-yl)-6-methyl-
4-Methoxy-2-(5-methoxy-3-methyl-1H-pyrazol-1-yl)-6-methylpyrimidine
1-(4-Methyl-6-methoxy-2-pyrimidinyl)-3-methyl-5-methoxypyrazole
DA 398
Mepirizole
1-(4-Methoxy-6-methyl-2-pyrimidinyl)-3-methyl-5-methoxypyrazole
4-Methoxy-2-(5-methoxy-3-methylpyrazol-1-yl)-6-methylpyrimidine
2-(3-Methyl-5-methoxy-1-pyrazolyl)-4-methoxy-6-methylpyrimidine
2-(3-Methoxy-5-methylpyrazol-2-yl)-4-methoxy-6-methylpyrimidine
Mebron

Work with Epirizole

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

4-Methoxy-6-methylpyrimidin-2-amine7749-47-546 % similar 4,6-Dimethoxy-2-methylpyrimidine13566-48-838 % similar 5,7-Dimethoxy[1,2,4]triazolo[1,5-a]pyrimidin-2-amine13223-43-336 % similar 2,4,6-Trimethoxypyrimidine13106-85-935 % similar 2-Chloro-4,6-dimethoxypyrimidine13223-25-134 % similar 5-Chloro-1,3-dimethyl-1H-pyrazole54454-10-332 % similar 4,6-Dimethoxy-2-methylthiopyrimidine90905-46-732 % similar 2-(Chloromethyl)-4,6-dimethoxypyrimidine114108-86-031 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

PubChem CAS Common Chemistry NIST WebBook