2-Methyl-4,6-pyrimidinedione

C₅H₆N₂O₂CAS 40497-30-1126.11 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₅H₆N₂O₂
Molar mass: 126.11 g/mol
Exact mass: 126.0429 Da
Melting point: 46–48 °C
logP: 0.29Crippen estimate
Polar surface area: 62.0 Å²
H-bond donors / acceptors: 1 / 2
Rotatable bonds: 0

Hazards

Warning

H315 Causes skin irritation97.9% of notifiers
H319 Causes serious eye irritation97.9% of notifiers
H335 May cause respiratory irritation93.6% of notifiers

Aggregated from 47 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

40497-30-1

SMILES

CC1=NC(=O)CC(O)=N1

InChIKey

GNVCKXIBBIIFPE-UHFFFAOYSA-N

InChI

InChI=1S/C5H6N2O2/c1-3-6-4(8)2-5(9)7-3/h2H2,1H3,(H,6,7,8,9)

Weigh it out

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

Names and synonyms

4 names

4,6(1H,5H)-Pyrimidinedione, 2-methyl-
2-Methyl-4,6(1H,5H)-pyrimidinedione
2-Methylpyrimidin-4,6(3H,5H)-dione
2-Methyl-1H-pyrimidine-4,6-dione

Work with 2-Methyl-4,6-pyrimidinedione

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

Barbituric acid67-52-743 % similar Succinimide123-56-841 % similar 1-Methyl-2,4,6(1H,3H,5H)-pyrimidinetrione2565-47-140 % similar Glutarimide1121-89-739 % similar 4,4-Dimethylpiperidine-2,6-dione1123-40-638 % similar N-Methylacetoacetamide20306-75-636 % similar 1-Methylhydantoin616-04-635 % similar Bemegride64-65-334 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

Methyl 1H-pyrazole-3-carboxylate15366-34-4 1-Methyl-1H-pyrazole-5-carboxylic acid16034-46-1 Methyl 1H-imidazole-5-carboxylate17325-26-7 1-Methyl-1H-imidazole-2-carboxylic acid20485-43-2 1H-Imidazole-1-acetic acid22884-10-2 1-Methyl-1H-pyrazole-3-carboxylic acid25016-20-0 2-Furancarboxylic acid hydrazide3326-71-4 5-Methyl-1H-pyrazole-3-carboxylic acid402-61-9

Elsewhere

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