chempirical

Primidone

C12H14N2O2CAS 125-33-7218.26 g/mol

Open in Covalent MOL file
ONHNHO

Properties

Molecular formula
C12H14N2O2
Molar mass
218.26 g/mol
Exact mass
218.1055 Da
Melting point
281–282 °C
pKa
12.3
Water solubility
480 mg/L (30 °C)
logP
2.22Crippen estimate
Polar surface area
65.2 Ų
H-bond donors / acceptors
2 / 2
Rotatable bonds
2

Hazards

Danger
Irritant (GHS07)Health Hazard (GHS08)

Aggregated from 49 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P203, P264, P270, P280, P301+P317, P318, P330, P405, P501

Identifiers

CAS number
125-33-7
SMILES
CCC1(c2ccccc2)C(O)=NCN=C1O
InChIKey
DQMZLTXERSFNPB-UHFFFAOYSA-N
InChI
InChI=1S/C12H14N2O2/c1-2-12(9-6-4-3-5-7-9)10(15)13-8-14-11(12)16/h3-7H,2,8H2,1H3,(H,13,15)(H,14,16)

Weigh it out

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

Names and synonyms

31 names · show all
  • 4,6(1H,5H)-Pyrimidinedione, 5-ethyldihydro-5-phenyl-
  • 5-Ethyldihydro-5-phenyl-4,6(1H,5H)-pyrimidinedione
  • Roe 101
  • 2-Desoxyphenobarbital
  • 5-Ethylhexahydro-5-phenylpyrimidine-4,6-dione
  • 5-Ethyl-5-phenylhexahydropyrimidine-4,6-dione
  • Misodine
  • Mizodin
  • Mylepsin
  • Mysoline
  • 5-Phenyl-5-ethyl-hexahydropyrimidine-4,6-dione
  • Primaclone
  • Hexamidine
  • Sertan
  • 2-Deoxyphenobarbital
  • Pyrimidone Medi-pets
  • Lepimidin
  • Mizolin
  • Milepsin
  • Primakton
  • Primidon
  • Primacone
  • Misolyne
  • Mysedon
  • Hexamidine (antiepileptic)
  • Hexamydin
  • Liskantin
  • Neurosyn
  • Resimatil
  • NSC 41701
  • 5-Ethyl-5-phenyl-1,3-diazinane-4,6-dione

Work with Primidone

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

Phenobarbital50-06-665 % similar Phenylethylmalonamide7206-76-056 % similar Nirvanol631-07-249 % similar 2-Ethyl-2-phenylbutyric acid5465-28-149 % similar Benzonal744-80-946 % similar 2-Amino-2-phenylbutyric acid5438-07-345 % similar 1,3-Diethyl 2-ethyl-2-phenylpropanedioate76-67-544 % similar tert-Amylbenzene2049-95-840 % similar

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

Same formula

1-Methyl-D-tryptophan110117-83-4 N-Acetylserotonin1210-83-9 7-Methyl-2-propyl-1H-benzimidazole-5-carboxylic acid152628-03-0 Alpha-methyl-L-tryptophan16709-25-4 2-(tert-Butyl)-5-nitro-1H-indole174274-85-2 1-Methyl-L-tryptophan21339-55-9 6-Methyl-DL-tryptophan2280-85-5 (±)-Mephenytoin50-12-4

Elsewhere

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