Cas no 905716-25-8 (Pyrimidine,2-ethoxy-4-methoxy-5-methyl-)
905716-25-8 structure
Product Name:Pyrimidine,2-ethoxy-4-methoxy-5-methyl-
CAS No:905716-25-8
MF:C8H12N2O2
MW:168.193081855774
CID:797772
PubChem ID:45117369
Update Time:2025-04-19
Pyrimidine,2-ethoxy-4-methoxy-5-methyl- Chemical and Physical Properties
Names and Identifiers
-
- Pyrimidine,2-ethoxy-4-methoxy-5-methyl-
- Pyrimidine, 2-ethoxy-4-methoxy-5-methyl- (9CI)
- 905716-25-8
- 2-ethoxy-4-methoxy-5-methylpyrimidine
-
- Inchi： 1S/C8H12N2O2/c1-4-12-8-9-5-6(2)7(10-8)11-3/h5H,4H2,1-3H3
- InChI Key： MHVNYEXUSIQMEM-UHFFFAOYSA-N
- SMILES： O(CC)C1=NC=C(C)C(=N1)OC
Computed Properties
- Exact Mass: 168.09
- Monoisotopic Mass: 168.09
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 12
- Rotatable Bond Count: 3
- Complexity: 132
- 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
- Topological Polar Surface Area: 44.2A^2
- XLogP3: 1.5
Pyrimidine,2-ethoxy-4-methoxy-5-methyl- Related Literature
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Xiang Liu,Qian Sun,A. B. Djuri?i?,Maohai Xie,Baohu Dai,Jinyao Tang,Charles Surya,Changzhong Liao,Kaimin Shih RSC Adv., 2015,5, 100783-100789
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Luis Miguel Azofra,Douglas R. MacFarlane,Chenghua Sun Chem. Commun., 2016,52, 3548-3551
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Stephen P. Fletcher,Richard B. C. Jagt,Ben L. Feringa Chem. Commun., 2007, 2578-2580
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Haitao Li,Yu Pan,Zhizhi Wang,Shan Chen,Ruixin Guo,Jianqiu Chen RSC Adv., 2015,5, 100775-100782
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