1,3-Dimethyluracil

C6H8N2O2CAS 874-14-6140.14 g/mol

Open in Covalent MOL file
NONO

Properties

Molecular formula
C6H8N2O2
Molar mass
140.14 g/mol
Exact mass
140.0586 Da
Melting point
120 °C
logP
-0.92Crippen estimate
Polar surface area
44.0 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
0

Hazards

Warning
Irritant (GHS07)

Aggregated from 5 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
874-14-6
SMILES
Cn1ccc(=O)n(C)c1=O
InChIKey
JSDBKAHWADVXFU-UHFFFAOYSA-N
InChI
InChI=1S/C6H8N2O2/c1-7-4-3-5(9)8(2)6(7)10/h3-4H,1-2H3

Weigh it out

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

Names and synonyms

9 names
  • 2,4(1H,3H)-Pyrimidinedione, 1,3-dimethyl-
  • Uracil, 1,3-dimethyl-
  • 1,3-Dimethyl-2,4(1H,3H)-pyrimidinedione
  • N,N′-Dimethyluracil
  • N1,N3-Dimethyluracil
  • 1,3-Dimethyl-2,4-pyrimidinedione
  • NSC 401858
  • 1,3-Dimethyl-1,2,3,4-tetrahydropyrimidine-2,4-dione
  • 1,3-Dimethyl-1H,3H-pyrimidine-2,4-dione

Work with 1,3-Dimethyluracil

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

1-Methyl-2(1H)-pyridinone694-85-943 % similar 4-Bromo-1-methylpyridin-2(1H)-one214342-63-942 % similar 6-Amino-1,3-dimethyluracil6642-31-542 % similar 6-Chloro-1,3-dimethyl-2,4(1H,3H)-pyrimidinedione6972-27-642 % similar 4-Amino-1-methylpyridin-2(1H)-one952182-01-342 % similar 1-Methyl-2-quinolone606-43-938 % similar N(1)-Methyl-2-pyridone-5-carboxylic acid3719-45-734 % similar 6-((3-Chloropropyl)amino)-1,3-dimethyluracil34654-81-433 % 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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