5-Ethyl-2,4(1H,3H)-pyrimidinedione

C6H8N2O2CAS 4212-49-1140.14 g/mol

Open in Covalent MOL file
NOHNHO
Phenol

Properties

Molecular formula
C6H8N2O2
Molar mass
140.14 g/mol
Exact mass
140.0586 Da
Melting point
303 °C
logP
0.45Crippen estimate
Polar surface area
66.2 Ų
H-bond donors / acceptors
2 / 4
Rotatable bonds
1

Hazards

Warning
Irritant (GHS07)

Aggregated from 50 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
4212-49-1
SMILES
CCc1cnc(O)nc1O
InChIKey
RHIULBJJKFDJPR-UHFFFAOYSA-N
InChI
InChI=1S/C6H8N2O2/c1-2-4-3-7-6(10)8-5(4)9/h3H,2H2,1H3,(H2,7,8,9,10)

Weigh it out

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

Names and synonyms

3 names
  • 2,4(1H,3H)-Pyrimidinedione, 5-ethyl-
  • Uracil, 5-ethyl-
  • 5-Ethyluracil

Work with 5-Ethyl-2,4(1H,3H)-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

5-(Hydroxymethyl)uracil4433-40-363 % similar Thymine65-71-452 % similar Pyrimidine-2,4,5-triol20636-41-350 % similar 5-Methoxyuracil6623-81-047 % similar 5-Chlorouracil1820-81-147 % similar 5-Bromouracil51-20-747 % similar 5-Fluorouracil51-21-847 % similar 5-Iodouracil696-07-147 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

3,5-Dimethyl-1H-pyrazole-4-carboxylic acid113808-86-9 4,6-Diaminoresorcinol15791-87-4 Methyl 1-methyl-1H-imidazole-5-carboxylate17289-20-2 Methyl 1-methyl-1H-pyrazole-3-carboxylate17827-61-1 3-Imidazol-1-yl-propionic acid18999-45-6 Ethyl imidazole-4-carboxylate23785-21-9 5,6-Dimethyluracil26305-13-5 Ethyl 1H-imidazole-2-carboxylate33543-78-1

Elsewhere

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