Cas no 2241865-89-2 (5-bromo-2-(methyl-d3)pyrimidine-4,6-d2)
2241865-89-2 structure
Product Name:5-bromo-2-(methyl-d3)pyrimidine-4,6-d2
CAS No:2241865-89-2
MF:C5H5BrN2
MW:178.0414083004
CID:6824624
PubChem ID:172402851
Update Time:2025-03-03
5-bromo-2-(methyl-d3)pyrimidine-4,6-d2 Chemical and Physical Properties
Names and Identifiers
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- CS-22709
- 2241865-89-2
- 5-bromo-2-(methyl-d3)pyrimidine-4,6-d2
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- Inchi： 1S/C5H5BrN2/c1-4-7-2-5(6)3-8-4/h2-3H,1H3/i1D3,2D,3D
- InChI Key： NEDJTEXNSTUKHW-RHIBPKLGSA-N
- SMILES： BrC1C([2H])=NC(C([2H])([2H])[2H])=NC=1[2H]
Computed Properties
- Exact Mass: 176.99499Da
- Monoisotopic Mass: 176.99499Da
- Isotope Atom Count: 5
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 8
- Rotatable Bond Count: 0
- Complexity: 68.8
- 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: 1.3
- Topological Polar Surface Area: 25.8?2
5-bromo-2-(methyl-d3)pyrimidine-4,6-d2 Related Literature
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Hanie Hashtroudi,Ian D. R. Mackinnon J. Mater. Chem. C, 2020,8, 13108-13126
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Yukiya Kitayama Polym. Chem., 2014,5, 2784-2792
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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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Matthew J. Gaunt,Jinquan Yu,Jonathan B. Spencer Chem. Commun., 2001, 1844-1845
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