Anthranilic acid, N-(2-anilino-4-pyrimidinyl)-
Basic information
- CAS
89450-91-9- Standard SMILES
O=C(O)c1ccccc1Nc1ccnc(Nc2ccccc2)n1- InChIKey
POORMKCKTPLEDJ-UHFFFAOYSA-N- Molecular formula
- C17H14N4O2
- Average molar mass
- 306.32 g/mol
- Monoisotopic mass
- 306.1116757
Names & identifiers
- Preferred name
- Anthranilic acid, N-(2-anilino-4-pyrimidinyl)-
- IUPAC
- 2-[(2-anilinopyrimidin-4-yl)amino]benzoic acid
Names & synonyms
89450-91-9ANTHRANILIC ACID, N-(2-ANILINO-4-PYRIMIDINYL)-DTXSID40237712RefChem:1077041DTXCID90160203N-(2-(PHENYLAMINO)-PYRIMIDIN-4-YL)ANTHRANILIC ACID2-((2-(Phenylamino)pyrimidin-4-yl)amino)benzoic acid2-{[2-(phenylamino)pyrimidin-4-yl]amino}benzoic acidBRN 55966952-[(2-anilinopyrimidin-4-yl)amino]benzoic acidN-(2-Anilino-4-pyrimidinyl)anthranilic acid2-Phenylamino-4-(o-carboxyphenylamino)pyrimidine
Show more names
Benzoic acid, 2-((2-(phenylamino)-4-pyrimidinyl)amino)-4-anilinopyrimidine 8aBisanilinopyrimidine, 3bOprea1_607415Oprea1_685540CHEMBL244839BDBM15991AKOS002279503
Database identifiers
- CAS
89450-91-9- PubChem CID
- 55970
- DTXSID
DTXSID40237712- ChEMBL
CHEMBL244839
Properties
Computed structural properties
- XLogP
- 4
- Topological polar surface area
- 87.1 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 5
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 387
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Related reactions
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Compound notes
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