2,6-Diamino-5-(4-chlorophenyl)pyrimidine-4-carboxylic acid
Basic information
- CAS
2762-82-5- Standard SMILES
Nc1nc(N)c(-c2ccc(Cl)cc2)c(C(=O)O)n1- InChIKey
HMEPMCWFLRZBCB-UHFFFAOYSA-N- Molecular formula
- C11H9ClN4O2
- Average molar mass
- 264.67 g/mol
- Monoisotopic mass
- 264.0414032
Names & identifiers
- Preferred name
- 2,6-Diamino-5-(4-chlorophenyl)pyrimidine-4-carboxylic acid
- IUPAC
- 2,6-diamino-5-(4-chlorophenyl)pyrimidine-4-carboxylic acid
Names & synonyms
2762-82-52,6-diamino-5-(4-chlorophenyl)pyrimidine-4-carboxylic acidNSC211972DTXSID50309439NSC-211972
Database identifiers
- CAS
2762-82-5- PubChem CID
- 309644
- DTXSID
DTXSID50309439
Properties
Computed structural properties
- XLogP
- 1.6
- Topological polar surface area
- 115 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 2
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 309
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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