2-Hydroxy-6-methylpurine
Basic information
- CAS
37109-81-2- Standard SMILES
Cc1[nH]c(=O)nc2nc[nH]c12- InChIKey
PTQIZCPBAIYYII-UHFFFAOYSA-N- Molecular formula
- C6H6N4O
- Average molar mass
- 150.14 g/mol
- Monoisotopic mass
- 150.05416083
Names & identifiers
- Preferred name
- 2-Hydroxy-6-methylpurine
- IUPAC
- 6-methyl-1,7-dihydropurin-2-one
- English name
- 2H-Purin-2-one, 1,3-dihydro-6-methyl- (9CI)
- Molecular formula
- C6H6N4O
- Molecular weight
- 150.13804
Names & synonyms
2-Hydroxy-6-methylpurine2-Oxo-6-methylpurine37109-81-2DTXSID501906072H-Purin-2-one, 1,3-dihydro-6-methyl-RefChem:87466DTXCID501130986-methyl-3,9-dihydro-2H-purin-2-onepurine, 2-hydroxy-6-methyl-SCHEMBL9465638SCHEMBL94656446-Methyl-1,7-dihydro-2H-purin-2-one
Show more names
2H-Purin-2-one, 1,3-dihydro-6-methyl- (9CI)
DB-3384842H-PURIN-2-ONE, 3,7-DIHYDRO-6-METHYL-Q27452809
Database identifiers
- CAS
37109-81-2- PubChem CID
- 189102
- DTXSID
DTXSID50190607- Nikkaji
- J730.938D
Properties
Computed structural properties
- XLogP
- -0.8
- Topological polar surface area
- 65.9 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 0
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 313
Physicochemical properties
- Comptox DTXSID
- 50190607 · DTXSID50190607
- RIDADR
- 3267 · 3267
- HazardClass
- 8 · 8
- PackingGroup
- III
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- ridadr
- 3267
- hazard_class
- 8
- packing_group
- III
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…