Cas no 884603-50-3 (2-Pyrimidinamine,5-ethynyl-N-methyl-)
884603-50-3 structure
Product Name:2-Pyrimidinamine,5-ethynyl-N-methyl-
CAS No:884603-50-3
MF:C7H7N3
MW:133.150580644608
CID:710549
PubChem ID:45117315
Update Time:2025-04-19
2-Pyrimidinamine,5-ethynyl-N-methyl- Chemical and Physical Properties
Names and Identifiers
-
- 2-Pyrimidinamine,5-ethynyl-N-methyl-
- 2-Pyrimidinamine, 5-ethynyl-N-methyl- (9CI)
- 5-ethynyl-N-methylpyrimidin-2-amine
- FT-0764956
- AKOS006380423
- 884603-50-3
- SCHEMBL2967360
- 2-Pyrimidinamine,5-ethynyl-N-methyl-(9ci)
-
- Inchi： 1S/C7H7N3/c1-3-6-4-9-7(8-2)10-5-6/h1,4-5H,2H3,(H,8,9,10)
- InChI Key： RPTLXNHKXKCNQT-UHFFFAOYSA-N
- SMILES： N(C)C1N=CC(C#C)=CN=1
Computed Properties
- Exact Mass: 133.064
- Monoisotopic Mass: 133.064
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 10
- Rotatable Bond Count: 2
- Complexity: 138
- 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: 37.8A^2
- XLogP3: 0.8
2-Pyrimidinamine,5-ethynyl-N-methyl- Related Literature
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James D. Kirkham,Patrick M. Delaney,George J. Ellames,Eleanor C. Row,Joseph P. A. Harrity Chem. Commun., 2010,46, 5154-5156
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Adeline Huiling Loo,Alessandra Bonanni,Martin Pumera Analyst, 2013,138, 467-471
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Andre Prates Pereira,Tao Dong,Eric P. Knoshaug,Nick Nagle,Ryan Spiller,Bonnie Panczak,Christopher J. Chuck,Philip T. Pienkos Sustainable Energy Fuels, 2020,4, 3400-3408
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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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