2-(pyrimidin-2-ylcarbamoyl)cyclohexane-1-carboxylic Acid

Base Information

• Chemical Name: 2-(pyrimidin-2-ylcarbamoyl)cyclohexane-1-carboxylic Acid
• CAS No.: 392703-94-5
• Molecular Formula: C12H15 N3 O3
• Molecular Weight: 249.2658
• DSSTox Substance ID: DTXSID10403427
• Mol file: 392703-94-5.mol

Synonyms:392703-94-5;2-(pyrimidin-2-ylcarbamoyl)cyclohexane-1-carboxylic Acid;2-(Pyrimidin-2-ylcarbamoyl)cyclohexanecarboxylic acid;ST51002675;SCHEMBL18906075;DTXSID10403427;AKOS003868246;2-(Pyrimidin-2-ylcarbamoyl)cyclohexanecarboxylicacid;Cyclohexanecarboxylic acid,2-((2-pyrimidinylamino)carbonyl)-

Chemical Property of 2-(pyrimidin-2-ylcarbamoyl)cyclohexane-1-carboxylic Acid

Chemical Property:

• PSA: 95.67000
• LogP: 1.95560
• XLogP3: 0.8
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 3
• Exact Mass: 249.11134135
• Heavy Atom Count: 18
• Complexity: 316

Purity/Quality:

2-[(2-PYRIMIDINYLAMINO)CARBONYL]CYCLOHEXANECARBOXYLIC ACID 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CCC(C(C1)C(=O)NC2=NC=CC=N2)C(=O)O