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CAS Number: 15400-54-1
ethyl 2,4-diaminopyrimidine-5-carboxylate

Structure

ethyl 2,4-diaminopyrimidine-5-carboxylate
Name: ethyl 2,4-diaminopyrimidine-5-carboxylate
Synonyms:
General Information
Product Number: 15400541
CAS Registry Number: 15400-54-1
Name:
        5-​Pyrimidinecarboxylic acid, 2,​4-​diamino-​, ethyl ester
        5-​Pyrimidinecarboxylic acid, 2-​amino-​3,​4-​dihydro-​4-​imino-​, ethyl ester (7CI); NSC 9314 
 
Chemical Formula: C7H10N4O2
Exact Mass: 182.08
Molecular Weight: 182.18
m/z: 182.08 (100.0%), 183.08 (9.1%)
Elemental Analysis: C, 46.15; H, 5.53; N, 30.75; O, 17.56
 
InChI: InChI=1S/C7H10N4O2/c1-2-13-6(12)4-3-10-7(9)11-5(4)8/h3H,2H2,1H3,(H4,8,9,10,11)
InChIKey: MANFWSKJPOXKJZ-UHFFFAOYSA-N
Canonical SMILES : CCOC(=O)C1=CN=C(N=C1N)N
 
Thermal Properties Value Condition Note
Melting Point 215-217 °C Solv: ethanol (64-17-5) (3)CAS
Melting Point 213-214 °C Solv: ethanol (64-17-5) (2)CAS
Melting Point 207 °C   (4)CAS
Melting Point 206 °C Solv: ethanol (64-17-5) (5)CAS
Melting Point 205-207 °C Solv: ethanol (64-17-5); water (7732-18-5) (1)IC
Melting Point 204-205 °C   (6)CAS
 

Specification

98%

References
  1. (1) Stanovnik, B.; Vestnik Slovenskega Kemijskega Drustva 1982, V29(2), P129-35 CAPLUS
  2. (2) Sankangoud, Ramappa M.; Pharma Chemica 2010, V2(2), P347-353 CAPLUS
  3. (3) Nishigaki, Sadao; Tetrahedron Letters 1969, (4), P247-50 CAPLUS
  4. (4) Dornow, Alfred; Justus Liebigs Annalen der Chemie 1954, V588, P45-61 CAPLUS
  5. (5) Peters, Earl; Journal of Organic Chemistry 1960, V25, P2137-42 CAPLUS
  6. (6) Sprague, James M.; Journal of the American Chemical Society 1936, V58, P423-6 CAPLUS
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