2,5,6-Triaminopyrimidin-4-ol sulfuric acid salt

C₄H₉N₅O₅SCAS 35011-47-3239.21 g/mol

Open in Covalent MOL file

Phenol Primary amine

Properties

Molecular formula: C₄H₉N₅O₅S
Molar mass: 239.21 g/mol
Exact mass: 239.0324 Da
logP: -1.89Crippen estimate
Polar surface area: 199.4 Å²
H-bond donors / acceptors: 7 / 7
Rotatable bonds: 0

Identifiers

CAS number

35011-47-3

SMILES

N=c1nc(O)c(N)c(N)[nH]1.O=S(=O)(O)O

InChIKey

RSKNEEODWFLVFF-UHFFFAOYSA-N

InChI

InChI=1S/C4H7N5O.H2O4S/c5-1-2(6)8-4(7)9-3(1)10;1-5(2,3)4/h5H2,(H5,6,7,8,9,10);(H2,1,2,3,4)

Weigh it out

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

Names and synonyms

3 names

4(3H)-Pyrimidinone, 2,5,6-triamino-, sulfate (1:1)
4(1H)-Pyrimidinone, 2,5,6-triamino-, sulfate (1:1)
NSC 167378

Work with 2,5,6-Triaminopyrimidin-4-ol sulfuric acid salt

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

4-Hydroxy-2,5,6-triaminopyrimidine1004-75-776 % similar 2,5-Diamino-4,6-dihydroxypyrimidine40769-69-553 % similar (Triaminopyrimidin-4-yl)oxidanesulfonic acid1603-02-752 % similar Guanine sulfate10333-92-350 % similar 2,6-Diamino-5-nitroso-4(3H)-pyrimidinone2387-48-650 % similar 2,4,5,6-Tetraaminopyrimidine sulfate49647-58-750 % similar 2,4,5,6-Tetraaminopyrimidine sulfate (1:1)5392-28-950 % similar 2,5-Diamino-4,6-dihydroxypyrimidine hydrochloride56830-58-149 % similar

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

Same formula

2,5,6-Triamino-4-hydroxypyrimidine sulfate39267-74-8

Elsewhere

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