2,4,5,6-Tetraaminopyrimidine sulfate

C₄H₁₀N₆O₄SCAS 49647-58-7238.22 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₄H₁₀N₆O₄S
Molar mass: 238.22 g/mol
Exact mass: 238.0484 Da
Melting point: above 360 °C
logP: -2.19Crippen estimate
Polar surface area: 205.9 Å²
H-bond donors / acceptors: 8 / 6
Rotatable bonds: 0

Hazards

Warning

H315 Causes skin irritation31.4% of notifiers
H319 Causes serious eye irritation97.1% of notifiers
H335 May cause respiratory irritation31.4% of notifiers

Aggregated from 35 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

49647-58-7

SMILES

N=c1[nH]c(N)c(N)c(=N)[nH]1.O=S(=O)(O)O

InChIKey

MQEFDQWUCTUJCP-UHFFFAOYSA-N

InChI

InChI=1S/C4H8N6.H2O4S/c5-1-2(6)9-4(8)10-3(1)7;1-5(2,3)4/h5H2,(H6,6,7,8,9,10);(H2,1,2,3,4)

Weigh it out

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

Names and synonyms

4 names

2,4,5,6-Pyrimidinetetramine, sulfate (1:?)
Pyrimidinetetramine, sulfate
Pyrimidine, 2,4,5,6-tetraamino-, sulfate
Tetraaminopyrimidine sulfate

Work with 2,4,5,6-Tetraaminopyrimidine 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.

Tetraaminopyrimidine1004-74-6Free base 2,4,5,6-Tetraaminopyrimidine hydrochloride39944-62-2Salt Tetraaminopyrimidine sulfate5392-28-9

Similar compounds

2,5,6-Triamino-4-pyrimidinol sulfate35011-47-350 % similar 2,5,6-Triamino-4-pyrimidinol sulfate39267-74-850 % similar 4,5,6-Triaminopyrimidine sulfate49721-45-144 % similar 5-Nitroso-2,4,6-pyrimidinetriamine1006-23-144 % similar 2-Aminoimidazolium sulfate1450-93-742 % similar (Triaminopyrimidin-4-yl)oxidanesulfonic acid1603-02-736 % similar 1,4-Benzenediamine sulfate16245-77-533 % similar 3-Amino-1H-pyrazole-4-carboxamide sulfate (2:1)27511-79-132 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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