4,5,6-Triaminopyrimidine sulfate

C₄H₉N₅O₄SCAS 49721-45-1223.21 g/mol

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Properties

Molecular formula: C₄H₉N₅O₄S
Molar mass: 223.21 g/mol
Exact mass: 223.0375 Da
logP: -1.60Crippen estimate
Polar surface area: 179.2 Å²
H-bond donors / acceptors: 6 / 6
Rotatable bonds: 0

Identifiers

CAS number

49721-45-1

SMILES

N=c1[nH]cnc(N)c1N.O=S(=O)(O)O

InChIKey

RKJICTKHLYLPLY-UHFFFAOYSA-N

InChI

InChI=1S/C4H7N5.H2O4S/c5-2-3(6)8-1-9-4(2)7;1-5(2,3)4/h1H,5H2,(H4,6,7,8,9);(H2,1,2,3,4)

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Names and synonyms

2 names

4,5,6-Pyrimidinetriamine, sulfate (1:1)
NSC 49184

Work with 4,5,6-Triaminopyrimidine sulfate

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

4,5,6-Pyrimidinetriamine118-70-772 % similar Adenine sulfate321-30-252 % similar 6-Chloro-4,5-pyrimidinediamine4316-98-746 % similar 2,4,5,6-Tetraaminopyrimidine sulfate49647-58-744 % similar 2,4,5,6-Tetraaminopyrimidine sulfate (1:1)5392-28-944 % similar 4,6-Diamino-5-nitropyrimidine2164-84-343 % similar Guanine sulfate10333-92-339 % similar 2,4(1H,3H)-Pyrimidinedione, 5,6-diamino-, sulfate (1:?)32014-70-339 % similar

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

Elsewhere

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