Cas no 2241865-68-7 (4-bromo-2-(methyl-d3)pyrimidine-5,6-d2)
2241865-68-7 structure
Product Name:4-bromo-2-(methyl-d3)pyrimidine-5,6-d2
CAS No:2241865-68-7
MF:C5H5BrN2
MW:178.0414083004
CID:6826526
PubChem ID:172406681
Update Time:2025-03-03
4-bromo-2-(methyl-d3)pyrimidine-5,6-d2 Chemical and Physical Properties
Names and Identifiers
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- 2241865-68-7
- 4-bromo-2-(methyl-d3)pyrimidine-5,6-d2
- CS-24693
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- Inchi: 1S/C5H5BrN2/c1-4-7-3-2-5(6)8-4/h2-3H,1H3/i1D3,2D,3D
- InChI Key: OJPQVYZLQGRFSO-RHIBPKLGSA-N
- SMILES: BrC1=C([2H])C([2H])=NC(C([2H])([2H])[2H])=N1
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: 76.8
- 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: 1.6
- Topological Polar Surface Area: 25.8?2
4-bromo-2-(methyl-d3)pyrimidine-5,6-d2 Related Literature
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Andreas Nenning,Manuel Holzmann,Jürgen Fleig,Alexander K. Opitz Mater. Adv., 2021,2, 5422-5431
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2. Fatty acid eutectic mixtures and derivatives from non-edible animal fat as phase change materials?Pau Gallart-Sirvent,Marc Martín,Gemma Villorbina,Mercè Balcells,Aran Solé,Luisa F. Cabeza,Ramon Canela-Garayoa RSC Adv., 2017,7, 24133-24139
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Nan Fu,Naphaporn Chiewchan,Xiao Dong Chen Food Funct., 2020,11, 211-220
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Yi Cao,Yujiao Xiahou,Lixiang Xing,Xiang Zhang,Hong Li,ChenShou Wu,Haibing Xia Nanoscale, 2020,12, 20456-20466
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Olga Guselnikova,Gérard Audran,Jean-Patrick Joly,Andrii Trelin,Evgeny V. Tretyakov,Vaclav Svorcik,Oleksiy Lyutakov,Sylvain R. A. Marque Chem. Sci., 2021,12, 4154-4161
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