5,6-Diamino-1,3-dimethyluracil

C6H10N4O2CAS 5440-00-6170.17 g/mol

Open in Covalent MOL file
NH2NNH2ONO
Primary amine

Properties

Molecular formula
C6H10N4O2
Molar mass
170.17 g/mol
Exact mass
170.0804 Da
Melting point
278–281 °C
logP
-1.75Crippen estimate
Polar surface area
96.0 Ų
H-bond donors / acceptors
2 / 4
Rotatable bonds
0

Hazards

Warning
Irritant (GHS07)

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
5440-00-6
SMILES
Cn1c(N)c(N)c(=O)n(C)c1=O
InChIKey
BGQNOPFTJROKJE-UHFFFAOYSA-N
InChI
InChI=1S/C6H10N4O2/c1-9-4(8)3(7)5(11)10(2)6(9)12/h7-8H2,1-2H3

Weigh it out

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

Names and synonyms

9 names
  • 2,4(1H,3H)-Pyrimidinedione, 5,6-diamino-1,3-dimethyl-
  • Uracil, 5,6-diamino-1,3-dimethyl-
  • 5,6-Diamino-1,3-dimethyl-2,4(1H,3H)-pyrimidinedione
  • 4,5-Diamino-1,3-dimethyluracil
  • 4,5-Diamino-1,3-dimethylpyrimidine-2,6-dione
  • 1,3-Dimethyl-5,6-diaminouracil
  • 4,5-Diamino-1,3-dimethyl-2,6-dioxotetrahydropyrimidine
  • 5,6-Diamino-1,3-dimethyl-2,4-pyrimidinedione
  • NSC 15493

Work with 5,6-Diamino-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

Theacrine2309-49-145 % similar 5,6-Diamino-1-methyluracil6972-82-343 % similar 6-Amino-1,3-dimethyluracil6642-31-537 % similar 3,7-Dihydro-1,3,7,8-tetramethyl-1H-purine-2,6-dione832-66-637 % similar Caffeine58-08-236 % similar Theophylline58-55-936 % similar 8-Chlorotheophylline85-18-735 % similar Aminophylline317-34-035 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

2-tert-Butyl-2H-1,2,3,4-tetrazole-5-carboxylic acid1547646-28-5 Ethyl 3,5-diamino-1H-pyrazole-4-carboxylate6825-71-4

Elsewhere

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