2,6-Diamino-5-phenylpyrimidine-4-carboxylic acid
Basic information
- CAS
20865-40-1- Standard SMILES
Nc1nc(N)c(-c2ccccc2)c(C(=O)O)n1- InChIKey
WARSWECWEADFGF-UHFFFAOYSA-N- Molecular formula
- C11H10N4O2
- Average molar mass
- 230.22 g/mol
- Monoisotopic mass
- 230.08037557
Names & identifiers
- Preferred name
- 2,6-Diamino-5-phenylpyrimidine-4-carboxylic acid
- IUPAC
- 2,6-diamino-5-phenylpyrimidine-4-carboxylic acid
Names & synonyms
2,6-diamino-5-phenylpyrimidine-4-carboxylic acid20865-40-1NSC154902DTXSID50302889NSC-154902
Database identifiers
- CAS
20865-40-1- PubChem CID
- 290713
- DTXSID
DTXSID50302889
Properties
Computed structural properties
- XLogP
- 1
- Topological polar surface area
- 115 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 2
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 281
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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