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CAS Number: 696-45-7
6-methoxypyrimidin-4-amine

Structure

6-methoxypyrimidin-4-amine
Name: 6-methoxypyrimidin-4-amine
Synonyms:
General Information
Product Number: 696457
CAS Registry Number: 696-45-7
Name:
4-​Pyrimidinamine, 6-​methoxy-
Pyrimidine, 4-​amino-​6-​methoxy- (6CI,​7CI,​8CI); 4-​Amino-​6-​methoxypyrimidine; 6-​Methoxy-​4-​aminopyrimidine; 6-​Methoxy-​4-​pyrimidinamine 
 
Chemical Formula: C5H7N3O
Exact Mass: 125.06
Molecular Weight: 125.13
m/z: 125.06 (100.0%), 126.06 (6.6%)
Elemental Analysis: C, 47.99; H, 5.64; N, 33.58; O, 12.79
 
InChI: InChI=1S/C5H7N3O/c1-9-5-2-4(6)7-3-8-5/h2-3H,1H3,(H2,6,7,8)
InChIKey: VELRBZDRGTVGGT-UHFFFAOYSA-N
Canonical SMILES : COC1=NC=NC(=C1)N
 
Thermal Properties Value Condition Note
Melting Point 156.5-157.5 °C   (1)CAS
Melting Point 156 °C Solv: benzene (71-43-2) (2)CAS
Melting Point 150-151 °C   (3)CAS

Specification

98%

References
  1. (1) Kato, Tetsuzo; Yakugaku Zasshi 1964, V34(12), P1201-5 CAPLUS
  2. (2) Okuda, Noriyuki; JP 38021090 B4 1963 CAPLUS
  3. (3) Brown, D. J.; Journal of the Chemical Society 1961, P1298-303 CAPLUS
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