2-N-methylpyrimidine-2,4,5-triamine;sulfuric acid
Basic information
- CAS
5180-63-2- Standard SMILES
CNc1ncc(N)c(N)n1.O=S(=O)(O)O- InChIKey
SJJAJVWUMLJZBL-UHFFFAOYSA-N- Molecular formula
- C5H11N5O4S
- Average molar mass
- 237.24 g/mol
- Monoisotopic mass
- 237.05317502
Names & identifiers
- Preferred name
- 2-N-methylpyrimidine-2,4,5-triamine;sulfuric acid
- IUPAC
- 2-N-methylpyrimidine-2,4,5-triamine;sulfuric acid
Names & synonyms
5180-63-2NSC80821DTXSID90292210NSC-80821DS-011955Sulfuric acid--N~2~-methylpyrimidine-2,4,5-triamine (1/1)
Database identifiers
- CAS
5180-63-2- PubChem CID
- 255374
- DTXSID
DTXSID90292210
Properties
Computed structural properties
- Topological polar surface area
- 173 Ų
- Hydrogen bond donors
- 5
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 1
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 188
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Compound notes
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