Cas no 100868-34-6 (Pyrimidine,5-ethyl-4-methyl-)
Pyrimidine,5-ethyl-4-methyl- structure
Product Name:Pyrimidine,5-ethyl-4-methyl-
CAS No:100868-34-6
MF:C7H10N2
MW:122.167701244354
CID:124280
PubChem ID:53663588
Update Time:2025-04-18
Pyrimidine,5-ethyl-4-methyl- Chemical and Physical Properties
Names and Identifiers
-
- Pyrimidine,5-ethyl-4-methyl-
- Pyrimidine, 5-ethyl-4-methyl- (6CI)
- SCHEMBL1132721
- 5-ethyl-4-methylpyrimidine
- 100868-34-6
-
- Inchi： 1S/C7H10N2/c1-3-7-4-8-5-9-6(7)2/h4-5H,3H2,1-2H3
- InChI Key： VBYNWDSUFLFBCG-UHFFFAOYSA-N
- SMILES： N1C=NC=C(C=1C)CC
Computed Properties
- Exact Mass: 122.0845
- Monoisotopic Mass: 122.084398327g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 9
- Rotatable Bond Count: 1
- Complexity: 83
- 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: 1.4
- Topological Polar Surface Area: 25.8?2
Experimental Properties
- PSA: 25.78
Pyrimidine,5-ethyl-4-methyl- Related Literature
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R. M. Pemberton,J. P. Hart,T. T. Mottram Analyst, 2001,126, 1866-1871
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Zhonghua Xiang,Chuanqi Fang,Sanhua Leng,Dapeng Cao J. Mater. Chem. A, 2014,2, 7662-7665
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J. M. Granadino-Roldán,M. Fernández-Gómez,A. Navarro,T. Pe?a Ruiz,U. A. Jayasooriya Phys. Chem. Chem. Phys., 2004,6, 1133-1143
-
Bidyut Kumar Kundu,Rinky Singh,Ritudhwaj Tiwari,Debasis Nayak New J. Chem., 2019,43, 4867-4877
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