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CAS Number: 81633-29-6
ethyl 2-amino-4-methylpyrimidine-5-carboxylate

Structure

ethyl 2-amino-4-methylpyrimidine-5-carboxylate
Name: ethyl 2-amino-4-methylpyrimidine-5-carboxylate
Synonyms:
General Information
Product Number: 81633296
CAS Registry Number: 81633-29-6
Name:
5-​Pyrimidinecarboxylic acid, 2-​amino-​4-​methyl-​, ethyl ester
2-​Amino-​4-​methylpyrimidine-​5-​carboxylic acid ethyl ester; Ethyl 2-​amino-​4-​methylpyrimidine-​5-​carboxylate 
 
Chemical Formula: C8H11N3O2
Exact Mass: 181.09
Molecular Weight: 181.19
m/z: 181.09 (100.0%), 182.09 (8.9%), 182.08 (1.1%)
Elemental Analysis: C, 53.03; H, 6.12; N, 23.19; O, 17.66
 
InChI: InChI=1S/C8H11N3O2/c1-3-13-7(12)6-4-10-8(9)11-5(6)2/h4H,3H2,1-2H3,(H2,9,10,11)
InChIKey: YBFVMJRSZCVJJP-UHFFFAOYSA-N
Canonical SMILES : CCOC(=O)C1=CN=C(N=C1C)N
 
Thermal Properties Value Condition Note
Melting Point 250-253 °C Solv: methanol (67-56-1) (1)CAS
Melting Point 225-226 °C Solv: ethanol (64-17-5) (2)IC
Melting Point 224-226 °C Solv: ethanol (64-17-5) (4)CAS
Melting Point 224-225 °C Solv: ethanol (64-17-5) (5)CAS
Melting Point 222 °C   (6)CAS
Melting Point 220 °C Solv: ethanol (64-17-5) (7)CAS
Melting Point 212-213 °C   (3)IC

Specification

98%

References
  1. (1) Singh, Kamaljit; European Journal of Medicinal Chemistry 2011, V46(6), P2290-2294 CAPLUS
  2. (2) Schenone, Pietro; Journal of Heterocyclic Chemistry 1990, V27(2), P295-305 CAPLUS
  3. (3) Vartanyan, R. S.; Khimiya Geterotsiklicheskikh Soedinenii 1982, (11), P1558-9 CAPLUS
  4. (4) Porcheddu, Andrea; Journal of Combinatorial Chemistry 2004, V6(1), P105-111 CAPLUS
  5. (5) Morimoto, Yasuo; Yakugaku Zasshi 1953, V73, P648-9 CAPLUS
  6. (6) Mitter, P. C.; Quarterly Journal of the Indian Chemical Society 1925, V2, P61-70 CAPLUS
  7. (7) Tsuda, Kyosuke; Yakugaku Zasshi 1950, V70, P73-6 CAPLUS
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