Cas no 1310212-36-2 (4-Pyrimidinecarboxylic acid, 2-(3-methylbutyl)-)

4-Pyrimidinecarboxylic acid, 2-(3-methylbutyl)- structure
1310212-36-2 structure
Product Name:4-Pyrimidinecarboxylic acid, 2-(3-methylbutyl)-
CAS No:1310212-36-2
MF:C10H14N2O2
MW:194.230362415314
CID:5273226
Update Time:2023-08-25

4-Pyrimidinecarboxylic acid, 2-(3-methylbutyl)- Chemical and Physical Properties

Names and Identifiers

    • 2-Isopentylpyrimidine-4-carboxylic acid
    • 2-(3-methylbutyl)pyrimidine-4-carboxylic acid
    • 4-Pyrimidinecarboxylic acid, 2-(3-methylbutyl)-
    • Inchi: 1S/C10H14N2O2/c1-7(2)3-4-9-11-6-5-8(12-9)10(13)14/h5-7H,3-4H2,1-2H3,(H,13,14)
    • InChI Key: HPZQHLKSWORVRS-UHFFFAOYSA-N
    • SMILES: OC(C1=CC=NC(CCC(C)C)=N1)=O

Computed Properties

  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 14
  • Rotatable Bond Count: 4
  • Complexity: 195
  • XLogP3: 2
  • Topological Polar Surface Area: 63.1

4-Pyrimidinecarboxylic acid, 2-(3-methylbutyl)- Pricemore >>

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