4-[(4-Anilino-5-bromopyrimidin-2-yl)amino]benzoic acid

Base Information

• Chemical Name: 4-[(4-Anilino-5-bromopyrimidin-2-yl)amino]benzoic acid
• CAS No.: 358789-05-6
• Molecular Formula: C17H13BrN4O2
• Molecular Weight: 385.21500
• ChEMBL ID: CHEMBL404687
• DSSTox Substance ID: DTXSID10596121
• Wikidata: Q72449207
• Mol file: 358789-05-6.mol

Synonyms:358789-05-6;4-[(4-Anilino-5-bromopyrimidin-2-yl)amino]benzoic acid;CHEMBL404687;4-[[5-BROMO-4-(PHENYLAMINO)-2-PYRIMIDINYL]AMINO]BENZOIC ACID;A6244;SCHEMBL5262378;DTXSID10596121;BDBM50377257;DB-366896;4-(5-bromo-4-(phenylamino)pyrimidin-2-ylamino)benzoic acid;4-(5-Bromo-4-phenylamino-pyrimidin-2-ylamino)-benzoic acid

Chemical Property of 4-[(4-Anilino-5-bromopyrimidin-2-yl)amino]benzoic acid

Chemical Property:

• PSA: 90.37000
• Density: 1.627
• LogP: 3.91940
• XLogP3: 4.2
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 5
• Exact Mass: 384.02219
• Heavy Atom Count: 24
• Complexity: 411

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)NC2=NC(=NC=C2Br)NC3=CC=C(C=C3)C(=O)O