2-Methyl-1,4-dihydropyrimidin-4-one

C₅H₆N₂OCAS 19875-04-8110.12 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₅H₆N₂O
Molar mass: 110.12 g/mol
Exact mass: 110.0480 Da
logP: 0.08Crippen estimate
Polar surface area: 45.8 Å²
H-bond donors / acceptors: 1 / 2
Rotatable bonds: 0

Hazards

Warning

H302 Harmful if swallowed100% of notifiers
H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation100% of notifiers

Aggregated from the 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, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

19875-04-8

SMILES

CC1=NC=CC(=O)N1

InChIKey

QWIDYOLZFAQBOB-UHFFFAOYSA-N

InChI

InChI=1S/C5H6N2O/c1-4-6-3-2-5(8)7-4/h2-3H,1H3,(H,6,7,8)

Weigh it out

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

Names and synonyms

1 names

4(1H)-Pyrimidinone, 2-methyl- (8ci,9ci)

Work with 2-Methyl-1,4-dihydropyrimidin-4-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

Similar compounds

2-Trifluoromethyl-pyrimidin-4-ol1546-80-147 % similar 2-Methylimidazole693-98-139 % similar 4-Hydroxy-2-methyl-6-(trifluoromethyl)pyrimidine2836-44-439 % similar 2,4-Dimethylimidazole930-62-138 % similar 4-Hydroxy-6-methoxymethyl-2-methylpyrimidine38249-50-237 % similar 4-Pyrimidinol51953-18-537 % similar 5-Iodo-2-methyl-1H-imidazole73746-45-937 % similar 2-Methyl-1H-imidazole-4-carboxaldehyde35034-22-136 % similar

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

Same formula

3-Methyl-1H-pyrazole-4-carbaldehyde112758-40-4 6-Methyl-3(2H)-pyridazinone13327-27-0 1-Methyl-2-imidazolecarboxaldehyde13750-81-7 3-Hydroxypentanedinitrile13880-89-2 2-Aminopyridine N-oxide14150-95-9 4-Methylpyrimidin-2-ol hydrochloride15231-48-8 2-Amino-3-hydroxypyridine16867-03-1 1-Methyl-1H-imidazole-4-carbaldehyde17289-26-8

Elsewhere

PubChem CAS Common Chemistry NIST WebBook