Cas no 74519-13-4 (1,6-dimethylpyrimidin-4-one)
1,6-dimethylpyrimidin-4-one structure
Product Name:1,6-dimethylpyrimidin-4-one
1,6-dimethylpyrimidin-4-one Chemical and Physical Properties
Names and Identifiers
-
- 1,6-dimethylpyrimidin-4-one
- 1,6-Dimethyl-1H-pyrimidin-4-on
- 1,6-dimethyl-1H-pyrimidin-4-one
- 4-oxo-1,6-dimethylpyrimidine
- AC1L73LM
- NSC193527
- SureCN8404475
- SCHEMBL8404475
- 74519-13-4
- NSC-193527
- DTXSID10307633
-
- Inchi： 1S/C6H8N2O/c1-5-3-6(9)7-4-8(5)2/h3-4H,1-2H3
- InChI Key： YYVFIMAAXDJQCD-UHFFFAOYSA-N
- SMILES： O=C1C=C(C)N(C=N1)C
Computed Properties
- Exact Mass: 124.06374
- Monoisotopic Mass: 124.063662883g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 9
- Rotatable Bond Count: 0
- Complexity: 193
- 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: -0.2
- Topological Polar Surface Area: 32.7?2
Experimental Properties
- PSA: 32.67
- LogP: 0.08870
1,6-dimethylpyrimidin-4-one Related Literature
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Gerald J. Meyer,Leif Hammarstr?m Chem. Sci., 2020,11, 3460-3473
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Norihito Fukui,Keisuke Fujimoto,Hideki Yorimitsu,Atsuhiro Osuka Dalton Trans., 2017,46, 13322-13341
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Marcin Czapla,Jack Simons Phys. Chem. Chem. Phys., 2018,20, 21739-21745
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Christopher B. Rodell,Christopher B. Highley,Minna H. Chen,Neville N. Dusaj,Chao Wang,Lin Han,Jason A. Burdick Soft Matter, 2016,12, 7839-7847
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Kay S. McMillan,Anthony G. McCluskey,Annette Sorensen,Marie Boyd,Michele Zagnoni Analyst, 2016,141, 100-110
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