4-Amino-7H-pyrrolo[2,3-d]pyrimidine Hydrogen Sulfate

C₆H₈N₄O₄SCAS 769951-32-8232.21 g/mol

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Properties

Molecular formula: C₆H₈N₄O₄S
Molar mass: 232.21 g/mol
Exact mass: 232.0266 Da
logP: -0.11Crippen estimate
Polar surface area: 142.2 Å²
H-bond donors / acceptors: 4 / 5
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

769951-32-8

SMILES

C1=CNC2=NC=NC(=C21)N.OS(=O)(=O)O

InChIKey

ZVFLCRGXDSPVKK-UHFFFAOYSA-N

InChI

InChI=1S/C6H6N4.H2O4S/c7-5-4-1-2-8-6(4)10-3-9-5;1-5(2,3)4/h1-3H,(H3,7,8,9,10);(H2,1,2,3,4)

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Names and synonyms

1 names

7H-Pyrrolo[2,3-D]pyrimidin-4-amine sulphate

Work with 4-Amino-7H-pyrrolo[2,3-d]pyrimidine Hydrogen 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

Similar compounds

Adenine sulfate321-30-251 % similar 7-Deazahypoxanthine3680-71-547 % similar 4,5,6-Triaminopyrimidine sulfate49721-45-141 % similar 5H-Pyrrolo[3,2-D]pyrimidin-4-amine (9ci)2227-98-739 % similar 1H-Pyrrolo[3,2-c]pyridin-4-amine60290-23-539 % similar 2-Aminoimidazolium sulfate1450-93-738 % similar Benzene-1,4-diamine; hydroxy hydrogen sulfite16245-77-538 % similar 2-(7H-Pyrrolo[2,3-D]pyrimidin-4-yl)isoindoline-1,3-dione741686-49-736 % similar

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

Elsewhere

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