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

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

Similar compounds

2,5-Diamino-4,6-dihydroxypyrimidine40769-69-589 % similar 4-Hydroxy-2,5,6-triaminopyrimidine1004-75-761 % similar 2,5,6-Triaminopyrimidin-4-ol sulfuric acid salt35011-47-349 % similar 2,5,6-Triamino-4-hydroxypyrimidine 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 2,4-Diamino-6-hydroxypyrimidine56-06-441 % similar

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

Elsewhere

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