Basic information
- Standard SMILES
COc1cc(Cc2c(N)nc(N)nc2O)cc(OC)c1N- InChIKey
NUDZRTRZRRSLGI-UHFFFAOYSA-N- Molecular formula
- C13H17N5O3
- Average molar mass
- 291.31 g/mol
- Monoisotopic mass
- 291.13313942
Names & identifiers
- IUPAC
- 2,6-diamino-5-[(4-amino-3,5-dimethoxyphenyl)methyl]-1H-pyrimidin-4-one
Database identifiers
- PubChem CID
- 21280976
Properties
Computed structural properties
- XLogP
- -0.6
- Topological polar surface area
- 138 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 462
Related reactions
3 records
Compound notes
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