Cas no 1211533-70-8 (2-Cyclopropylpyrimidine-4-carboxylic acid)

2-Cyclopropylpyrimidine-4-carboxylic acid is a pyrimidine derivative featuring a cyclopropyl substituent at the 2-position and a carboxylic acid functional group at the 4-position. This compound serves as a versatile intermediate in organic synthesis, particularly in pharmaceutical and agrochemical applications. Its rigid cyclopropyl ring enhances steric and electronic properties, potentially improving binding affinity in target molecules. The carboxylic acid moiety allows for further derivatization, enabling the formation of amides, esters, or other functionalized derivatives. This compound is valued for its structural uniqueness, which may contribute to the development of biologically active molecules with optimized pharmacokinetic or physicochemical properties. Suitable for research in medicinal chemistry and material science.
2-Cyclopropylpyrimidine-4-carboxylic acid structure
1211533-70-8 structure
Product Name:2-Cyclopropylpyrimidine-4-carboxylic acid
CAS No:1211533-70-8
MF:C8H8N2O2
MW:164.161321640015
MDL:MFCD16866567
CID:4578008
Update Time:2025-05-23

2-Cyclopropylpyrimidine-4-carboxylic acid Chemical and Physical Properties

Names and Identifiers

    • 2-cyclopropylpyrimidine-4-carboxylic acid
    • Z1259335792
    • 2-Cyclopropylpyrimidine-4-carboxylic acid
    • MDL: MFCD16866567
    • Inchi: 1S/C8H8N2O2/c11-8(12)6-3-4-9-7(10-6)5-1-2-5/h3-5H,1-2H2,(H,11,12)
    • InChI Key: AWRCBKGYINDHAL-UHFFFAOYSA-N
    • SMILES: OC(C1=CC=NC(C2CC2)=N1)=O

Computed Properties

  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 12
  • Rotatable Bond Count: 2
  • Complexity: 192
  • XLogP3: 0.6
  • Topological Polar Surface Area: 63.1

2-Cyclopropylpyrimidine-4-carboxylic acid Security Information

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