chempirical

(Triaminopyrimidin-4-yl)oxidanesulfonic acid

C4H7N5O4SCAS 1603-02-7221.19 g/mol

Open in Covalent MOL file
HNNOSOOOHNH2NH2HN
Primary amine

Properties

Molecular formula
C4H7N5O4S
Molar mass
221.19 g/mol
Exact mass
221.0219 Da
logP
-1.76Crippen estimate
Polar surface area
168.2 Ų
H-bond donors / acceptors
5 / 7
Rotatable bonds
2

Identifiers

CAS number
1603-02-7
SMILES
N=c1nc(OS(=O)(=O)O)c(N)c(N)[nH]1
InChIKey
DJUGBKWOBAOTFA-UHFFFAOYSA-N
InChI
InChI=1S/C4H7N5O4S/c5-1-2(6)8-4(7)9-3(1)13-14(10,11)12/h5H2,(H,10,11,12)(H4,6,7,8,9)

Weigh it out

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

Names and synonyms

4 names
  • 4-Pyrimidinol, 2,5,6-triamino-, 4-(hydrogen sulfate)
  • 4-Pyrimidinol, 2,5,6-triamino-, hydrogen sulfate (ester)
  • 4-Pyrimidinol, 2,5,6-triamino-, hydrogen sulfate
  • 2,5,6-Triaminopyrimidin-4-yl hydrogen sulfate

Work with (Triaminopyrimidin-4-yl)oxidanesulfonic acid

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

2,5,6-Triaminopyrimidin-4-ol sulfuric acid salt35011-47-352 % similar 2,5,6-Triamino-4-hydroxypyrimidine sulfate39267-74-852 % similar 4-Hydroxy-2,5,6-triaminopyrimidine1004-75-748 % similar 2,6-Diamino-5-nitroso-4(3H)-pyrimidinone2387-48-636 % similar 2,4,5,6-Tetraaminopyrimidine sulfate49647-58-736 % similar 2,4,5,6-Tetraaminopyrimidine sulfate (1:1)5392-28-936 % similar 2,5-Diamino-4,6-dihydroxypyrimidine40769-69-534 % similar 2,5-Diamino-4,6-dihydroxypyrimidine hydrochloride56830-58-132 % similar

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

Elsewhere

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