Basic information
- CAS
71552-23-3- Standard SMILES
Nc1nc(N)c(OS(=O)(=O)O)c(N)n1- InChIKey
QIMCHUDSVIDYRZ-UHFFFAOYSA-N- Molecular formula
- C4H7N5O4S
- Average molar mass
- 221.2 g/mol
- Monoisotopic mass
- 221.0218749
Names & identifiers
- Preferred name
- 5-Pyrimidinol, 2,4,6-triamino-, 5-(hydrogen sulfate)
- IUPAC
- (2,4,6-triaminopyrimidin-5-yl) hydrogen sulfate
Names & synonyms
71552-23-35-Pyrimidinol, 2,4,6-triamino-, 5-(hydrogen sulfate)RefChem:3048592,4,6-Triamino-5-pyrimidinyl hydrogen sulfateQIMCHUDSVIDYRZ-UHFFFAOYSA-NDTXSID2012203842,4,6-Triaminopyrimidin-5-yl hydrogen sulfate
Database identifiers
- CAS
71552-23-3- PubChem CID
- 548550
- DTXSID
DTXSID201220384
Properties
Computed structural properties
- XLogP
- -1.8
- Topological polar surface area
- 176 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 2
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 277
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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