3-(Aminomethyl)-4,6-dimethyl-1,2-dihydropyridin-2-one

C8H12N2OCAS 771579-27-2152.20 g/mol

Open in Covalent MOL file
OHNNH2
Primary amine

Properties

Molecular formula
C8H12N2O
Molar mass
152.20 g/mol
Exact mass
152.0950 Da
logP
0.45Crippen estimate
Polar surface area
58.9 Ų
H-bond donors / acceptors
2 / 2
Rotatable bonds
1

Hazards

Danger
Corrosive (GHS05)Irritant (GHS07)

Aggregated from 2 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, P305+P354+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number
771579-27-2
SMILES
CC1=CC(=C(C(=O)N1)CN)C
InChIKey
PCJPGNCABBDNJU-UHFFFAOYSA-N
InChI
InChI=1S/C8H12N2O/c1-5-3-6(2)10-8(11)7(5)4-9/h3H,4,9H2,1-2H3,(H,10,11)

Weigh it out

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

Names and synonyms

1 names
  • 2(1H)-Pyridinone, 3-(aminomethyl)-4,6-dimethyl- (9ci)

Work with 3-(Aminomethyl)-4,6-dimethyl-1,2-dihydropyridin-2-one

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

Stereoisomers, salts and isotopologues

The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.

3-(Aminomethyl)-4,6-dimethyl-1,2-dihydropyridin-2-one hydrochloride1173081-96-3Salt

Similar compounds

3,5-Dimethyl-1H-pyrrole-2-carboxaldehyde2199-58-838 % similar 2,6-Dimethyl-4-pyridinol13603-44-636 % similar 3,5-Dimethylpyrrole-2-carboxylic acid4513-93-335 % similar 3-Bromo-2-hydroxy-6-picoline374633-33-734 % similar Ethyl 3,5-dimethyl-1H-pyrrole-2-carboxylate2199-44-234 % similar 2,4-Dihydroxy-6-methylpyridine-3-carboxylic acid846557-80-034 % similar 4-Hydroxy-6-methyl-3-nitro-2-pyridone4966-90-933 % similar Ethyl 2,4-dihydroxy-6-methyl-3-pyridinecarboxylate70254-52-333 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

2-(N-Methyl-N-(2-pyridyl)amino)ethanol122321-04-4 β-Oxo-1-piperidinepropanenitrile15029-30-8 Isopropyl methoxypyrazine25773-40-4 2-Isopropyl-6-methyl-4-pyrimidinol2814-20-2 2-Ethoxy-3-ethylpyrazine35243-43-7 1-(Tetrahydro-2H-pyran-2-yl)-1H-pyrazole449758-17-2 2-Butyl-1H-imidazole-5-carboxaldehyde68282-49-5 4-(1,1-Dimethylethyl)-1H-imidazole-5-carboxaldehyde714273-83-3

Elsewhere

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