Basic information
- CAS
887585-21-9- Standard SMILES
O=C(O)c1ccccc1Nc1ccncn1- InChIKey
LCAWYNNPARLLJL-UHFFFAOYSA-N- Molecular formula
- C11H9N3O2
- Average molar mass
- 215.21 g/mol
- Monoisotopic mass
- 215.06947654
Names & identifiers
- Preferred name
- 2-(4-Pyrimidinylamino)benzoic acid
- IUPAC
- 2-(pyrimidin-4-ylamino)benzoic acid
Names & synonyms
2-(4-pyrimidinylamino)benzoic acid887585-21-9RefChem:2528232-(pyrimidin-4-ylamino)benzoic acid2-[(pyrimidin-4-yl)amino]benzoic acidAP-782/418855524-(o-carboxyphenylamino)pyrimidineDTXSID001297531SBB095099
Database identifiers
- CAS
887585-21-9- PubChem CID
- 820653
- DTXSID
DTXSID001297531
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 75.1 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 247
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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