Cas no 77995-05-2 (5-Pyrimidinecarboxylicacid, 2-amino-4-phenyl-, ethyl ester)

5-Pyrimidinecarboxylicacid, 2-amino-4-phenyl-, ethyl ester structure
77995-05-2 structure
Product Name:5-Pyrimidinecarboxylicacid, 2-amino-4-phenyl-, ethyl ester
CAS No:77995-05-2
MF:C13H13N3O2
MW:243.261222600937
CID:578888
PubChem ID:254928
Update Time:2025-04-19

5-Pyrimidinecarboxylicacid, 2-amino-4-phenyl-, ethyl ester Chemical and Physical Properties

Names and Identifiers

    • 5-Pyrimidinecarboxylicacid, 2-amino-4-phenyl-, ethyl ester
    • 2-Amino-4-phenyl-pyrimidine-5-carboxylic acid ethyl ester
    • ethyl 2-amino-4-phenylpyrimidine-5-carboxylate
    • 2-Amino-4-phenyl-5-ethoxycarbonyl-pyrimidin
    • AC1L5RAN
    • AC1Q64TY
    • AR-1I8287
    • CTK5E5274
    • HMS3088O19
    • NCIOpen2_004412
    • NSC79674
    • SMR001560304
    • 77995-05-2
    • 2-amino-4-phenyl-5-pyrimidinecarboxylic acid ethyl ester
    • MLS002694375
    • ethyl 2-azanyl-4-phenyl-pyrimidine-5-carboxylate
    • CHEMBL1881276
    • NSC-79674
    • DTXSID00292024
    • A839645
    • (S)-2-HYDROXY-2-METHYLBUTYRICACID
    • Inchi: 1S/C13H13N3O2/c1-2-18-12(17)10-8-15-13(14)16-11(10)9-6-4-3-5-7-9/h3-8H,2H2,1H3,(H2,14,15,16)
    • InChI Key: GAUHBBJWYNSIJC-UHFFFAOYSA-N
    • SMILES: O(CC)C(C1=CN=C(N)N=C1C1C=CC=CC=1)=O

Computed Properties

  • Exact Mass: 243.10089
  • Monoisotopic Mass: 243.101
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 5
  • Heavy Atom Count: 18
  • Rotatable Bond Count: 4
  • Complexity: 279
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 1.7
  • Topological Polar Surface Area: 78.1?2

Experimental Properties

  • Density: 1.229
  • Boiling Point: 482.7°Cat760mmHg
  • Flash Point: 245.7°C
  • Refractive Index: 1.599
  • PSA: 78.1
  • LogP: 2.48370
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