4,6-Dimethylpyrimidine-5-carboxylic acid

C₇H₈N₂O₂CAS 157335-93-8152.15 g/mol

Open in Covalent MOL file

Carboxylic acid

Properties

Molecular formula: C₇H₈N₂O₂
Molar mass: 152.15 g/mol
Exact mass: 152.0586 Da
logP: 0.79Crippen estimate
Polar surface area: 63.1 Å²
H-bond donors / acceptors: 1 / 3
Rotatable bonds: 1

Hazards

Warning

H302+H312+H332 Harmful if swallowed, in contact with skin or if inhaled25% of notifiers
H302 Harmful if swallowed75% of notifiers
H312 Harmful in contact with skin50% of notifiers
H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H332 Harmful if inhaled50% of notifiers
H335 May cause respiratory irritation100% of notifiers

Aggregated from 4 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

157335-93-8

SMILES

Cc1ncnc(C)c1C(=O)O

InChIKey

SBJRXHBKPCHGQY-UHFFFAOYSA-N

InChI

InChI=1S/C7H8N2O2/c1-4-6(7(10)11)5(2)9-3-8-4/h3H,1-2H3,(H,10,11)

Weigh it out

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

Names and synonyms

2 names

4,6-Dimethyl-5-pyrimidinecarboxylic acid
5-Pyrimidinecarboxylic acid, 4,6-dimethyl-

Work with 4,6-Dimethylpyrimidine-5-carboxylic acid

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

2,4-Dimethyl-3-pyridinecarboxylic acid55314-30-259 % similar 4,6-Dichloropyrimidine-5-carboxylic acid87600-98-453 % similar 3-Methylpyrazine-2-carboxylic acid41110-28-552 % similar 1,3,5-Trimethyl-1H-pyrazole-4-carboxylic acid1125-29-750 % similar 4-Methyl-1,3-oxazole-5-carboxylic acid2510-32-950 % similar 3,5-Dimethyl-1H-pyrazole-4-carboxylic acid113808-86-948 % similar 4-Methylthiazole-5-carboxylic acid20485-41-048 % similar 3,5-Dimethyl-4-isoxazolecarboxylic acid2510-36-348 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

N-Methyl-4-nitroaniline100-15-2 4-Methyl-3-nitroaniline119-32-4 Methyl 2-aminopyridine-3-carboxylate14667-47-1 2,6-Dimethyl-3-nitropyridine15513-52-7 Methyl 4-aminopyridine-3-carboxylate16135-36-7 6-Amino-4-methyl-3-pyridinecarboxylic acid179555-11-4 1-Methyl-2-(2-nitroethenyl)-pyrrole3156-50-1 N-(Hydroxymethyl)nicotinamide3569-99-1

Elsewhere

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