chempirical

5-Nitroso-2,4,6-pyrimidinetriamine

C4H6N6OCAS 1006-23-1154.13 g/mol

Open in Covalent MOL file
HNHNNH2NONHHN
Primary amine

Properties

Molecular formula
C4H6N6O
Molar mass
154.13 g/mol
Exact mass
154.0603 Da
Melting point
345 °C (decomposes)
logP
-0.72Crippen estimate
Polar surface area
134.7 Ų
H-bond donors / acceptors
5 / 5
Rotatable bonds
1

Identifiers

CAS number
1006-23-1
SMILES
N=c1[nH]c(N)c(N=O)c(=N)[nH]1
InChIKey
XLQQJSWJHHKLOK-UHFFFAOYSA-N
InChI
InChI=1S/C4H6N6O/c5-2-1(10-11)3(6)9-4(7)8-2/h(H6,5,6,7,8,9)

Weigh it out

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

Names and synonyms

7 names
  • 2,4,6-Pyrimidinetriamine, 5-nitroso-
  • Pyrimidine, 2,4,6-triamino-5-nitroso-
  • 2,4,6-Triamino-5-nitrosopyrimidine
  • 5-Nitroso-2,4,6-triaminopyrimidine
  • TX 1041
  • NSC 67309
  • NSC 677554

Work with 5-Nitroso-2,4,6-pyrimidinetriamine

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

Tetraaminopyrimidine1004-74-652 % similar 2,4,5,6-Tetraaminopyrimidine hydrochloride39944-62-247 % similar 2,6-Diamino-5-nitroso-4(3H)-pyrimidinone2387-48-644 % similar 2,4,5,6-Tetraaminopyrimidine sulfate49647-58-744 % similar 2,4,5,6-Tetraaminopyrimidine sulfate (1:1)5392-28-944 % similar 2,6-Diaminopurine1904-98-933 % similar

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

Elsewhere

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