4,5,6-Triaminopyrimidine sulfate

C₄H₉N₅O₄SCAS 49721-45-1223.21 g/mol

Open in Covalent MOL file

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

Hazards

Warning

H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation100% of notifiers

Aggregated from 39 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

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)

Weigh it out

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

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

Stereoisomers, salts and isotopologues

The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.

4,5,6-Pyrimidinetriamine118-70-7Free base

Similar compounds

Adenine sulfate321-30-252 % similar 6-Chloro-4,5-pyrimidinediamine4316-98-746 % similar 4,5-Diamino-6-hydroxypyrimidine1672-50-045 % similar 2,4,5,6-Tetraaminopyrimidine sulfate49647-58-744 % similar Tetraaminopyrimidine sulfate5392-28-944 % similar 2-Aminoimidazolium sulfate1450-93-743 % similar 4,6-Diamino-5-nitropyrimidine2164-84-343 % similar 4-Amino-7H-pyrrolo[2,3-d]pyrimidine Hydrogen Sulfate769951-32-841 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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