2,5-Diamino-4,6-dihydroxypyrimidine hydrochloride

C₄H₇ClN₄O₂CAS 56830-58-1178.58 g/mol

Open in Covalent MOL file

Phenol Primary amine

Properties

Molecular formula: C₄H₇ClN₄O₂
Molar mass: 178.58 g/mol
Exact mass: 178.0258 Da
Melting point: above 300 °C
logP: -0.70Crippen estimate
Polar surface area: 119.0 Å²
H-bond donors / acceptors: 5 / 5
Rotatable bonds: 0

Hazards

Warning

H317 May cause an allergic skin reaction100% of notifiers
H319 Causes serious eye irritation100% of notifiers

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

Precautionary statements

P261, P264+P265, P272, P280, P302+P352, P305+P351+P338, P321, P333+P317, P337+P317, P362+P364, P501

Identifiers

CAS number

56830-58-1

SMILES

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

InChIKey

IIVYOQGIZSPVFZ-UHFFFAOYSA-N

InChI

InChI=1S/C4H6N4O2.ClH/c5-1-2(9)7-4(6)8-3(1)10;/h5H2,(H4,6,7,8,9,10);1H

Weigh it out

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

Names and synonyms

2 names

4(3H)-Pyrimidinone, 2,5-diamino-6-hydroxy-, hydrochloride (1:1)
4(1H)-Pyrimidinone, 2,5-diamino-6-hydroxy-, monohydrochloride

Work with 2,5-Diamino-4,6-dihydroxypyrimidine hydrochloride

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.

2,5-Diamino-4,6-dihydroxypyrimidine40769-69-5Free base

Similar compounds

4-Hydroxy-2,5,6-triaminopyrimidine1004-75-761 % similar 2,5,6-Triamino-4-pyrimidinol sulfate35011-47-349 % similar 2,5,6-Triamino-4-pyrimidinol sulfate39267-74-849 % similar Guanine hydrochloride635-39-244 % similar 2,6-Diamino-5-nitroso-4(3H)-pyrimidinone2387-48-641 % similar 2-Amino-5,6-dimethyl-4(3H)-pyrimidinone3977-23-941 % similar 2-Aminoisocytosine56-06-441 % similar 8-Azaguanine134-58-738 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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