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CAS Number: 3059-71-0
2,5-dimethylpyrimidin-4(1H)-one

Structure

2,5-dimethylpyrimidin-4(1H)-one
Name: 2,5-dimethylpyrimidin-4(1H)-one
Synonyms:
General Information
Product Number: 3059710
CAS Registry Number:
3059-71-0
Name:
4(3H)​-​Pyrimidinone, 2,​5-​dimethyl-
4(1H)​-​Pyrimidinone, 2,​5-​dimethyl- (9CI); 4-​Pyrimidinol, 2,​5-​dimethyl- (6CI,​8CI); 2,​5-​Dimethyl-​6-​hydroxypyrimidine; NSC 51124 
 
Chemical Formula: C6H8N2O
Exact Mass: 124.06
Molecular Weight: 124.14
m/z: 124.06 (100.0%), 125.07 (6.6%)
Elemental Analysis: C, 58.05; H, 6.50; N, 22.57; O, 12.89
 
InChI: InChI=1S/C6H8N2O/c1-4-3-7-5(2)8-6(4)9/h3H,1-2H3,(H,7,8,9)
InChIKey: HMOMINHDSCYPKH-UHFFFAOYSA-N
Canonical SMILES : CC1=CN=C(NC1=O)C
 
 
Thermal Properties Value Condition Note
Melting Point 178 °C Solv: acetone (67-64-1) (1)CAS
Melting Point 175-176 °C   (2)CAS
Melting Point 174 °C   (3)CAS
Melting Point 173 °C   (4)CAS
Melting Point 172-173 °C Solv: acetone (67-64-1) (4)CAS

Specification

98%

References
  1. (1) David, Serge; Bulletin de la Societe Chimique de France 1965, (8), P2301-6 CAPLUS
  2. (2) Bonvicino, Guido E.; Journal of Organic Chemistry 1959, V24, P451-4 CAPLUS
  3. (3) Williams, Robert R.; Journal of the American Chemical Society 1937, V59, P526-30 CAPLUS
  4. (4) Takamizawa, Akira; Yakugaku Zasshi 1959, V79, P664-9 CAPLUS
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