2,4(1H,3H)-Pyrimidinedione, 5,6-diamino-, sulfate (1:?)

C₄H₈N₄O₆SCAS 32014-70-3240.19 g/mol

Open in Covalent MOL file

Phenol Primary amine

Properties

Molecular formula: C₄H₈N₄O₆S
Molar mass: 240.19 g/mol
Exact mass: 240.0165 Da
logP: -1.60Crippen estimate
Polar surface area: 192.9 Å²
H-bond donors / acceptors: 6 / 8
Rotatable bonds: 0

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless.

Search the SDS library

Identifiers

CAS number

32014-70-3

SMILES

Nc1nc(O)nc(O)c1N.O=S(=O)(O)O

InChIKey

IKARJSDZQCSEJX-UHFFFAOYSA-N

InChI

InChI=1S/C4H6N4O2.H2O4S/c5-1-2(6)7-4(10)8-3(1)9;1-5(2,3)4/h5H2,(H4,6,7,8,9,10);(H2,1,2,3,4)

Weigh it out

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

Names and synonyms

2 names

Uracil, 5,6-diamino-, sulfate
2,4(1H,3H)-Pyrimidinedione, 5,6-diamino-, sulfate

Work with 2,4(1H,3H)-Pyrimidinedione, 5,6-diamino-, sulfate (1:?)

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.

5,6-Diaminouracil3240-72-0Free base

Similar compounds

2,5,6-Triamino-4-pyrimidinol sulfate35011-47-348 % similar 2,5,6-Triamino-4-pyrimidinol sulfate39267-74-848 % similar 6-Amino-5-nitroso-2,4(1H,3H)-pyrimidinedione5442-24-045 % similar 4,5-Diamino-6-hydroxy-2-mercaptopyrimidine1004-76-844 % similar 5-Amino-1,2,3,6-tetrahydro-2,6-dioxo-4-pyrimidinecarboxylic acid7164-43-443 % similar 4,5,6-Triaminopyrimidine sulfate49721-45-139 % similar Phenol, 2-amino-, sulfate (2:1)67845-79-835 % similar 1,4-Benzenediamine sulfate16245-77-534 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

PubChem CAS Common Chemistry NIST WebBook