chempirical

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

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

6-Amino-1,3-dimethyluracil6642-31-542 % similar 6-Chloro-1,3-dimethyl-2,4(1H,3H)-pyrimidinedione6972-27-642 % similar 1-Methyl-2(1H)-quinolinone606-43-938 % similar 6-[(3-Chloropropyl)amino]-1,3-dimethyl-2,4(1H,3H)-pyrimidinedione34654-81-433 % similar Caffeine58-08-233 % similar 1-Methyluracil615-77-033 % similar Deferiprone30652-11-032 % similar 1H-Purine-2,6-dione, 3,7-dihydro-1,3,7-trimethyl-, hydrate (1:1)5743-12-431 % 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-pyrazole-3-carboxylate17827-61-1 5,6-Dimethyluracil26305-13-5 Ethyl 1H-pyrazole-4-carboxylate37622-90-5 5-Ethyl-2,4(1H,3H)-pyrimidinedione4212-49-1 Tetramethylene diisocyanate4538-37-8 1,5-Dimethyl-1H-pyrazole-3-carboxylic acid5744-59-2

Elsewhere

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