Cas no 2241865-67-6 (2-bromo-4-(methyl-d3)pyrimidine-5,6-d2)
2241865-67-6 structure
Product Name:2-bromo-4-(methyl-d3)pyrimidine-5,6-d2
CAS No:2241865-67-6
MF:C5H5BrN2
MW:178.0414083004
CID:6824421
PubChem ID:172401068
Update Time:2025-03-03
2-bromo-4-(methyl-d3)pyrimidine-5,6-d2 Chemical and Physical Properties
Names and Identifiers
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- 2241865-67-6
- CS-22501
- 2-bromo-4-(methyl-d3)pyrimidine-5,6-d2
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- Inchi: 1S/C5H5BrN2/c1-4-2-3-7-5(6)8-4/h2-3H,1H3/i1D3,2D,3D
- InChI Key: UZIJEBOLOXOVFY-RHIBPKLGSA-N
- SMILES: BrC1=NC([2H])=C([2H])C(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
2-bromo-4-(methyl-d3)pyrimidine-5,6-d2 Related Literature
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Jason Y. C. Lim,Yong Yu,Guorui Jin,Kai Li,Yi Lu,Jianping Xie Nanoscale Adv., 2020,2, 3921-3932
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Maomao Hou,Fenglin Zhong,Qiu Jin,Enjiang Liu,Jie Feng,Tengyun Wang,Yue Gao RSC Adv., 2017,7, 34392-34400
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Gloria Belén Ramírez-Rodríguez,José Manuel Delgado-López,Jaime Gómez-Morales CrystEngComm, 2013,15, 2206-2212
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Xiaoming Liu,Zachary D. Hood,Wangda Li,Donovan N. Leonard,Arumugam Manthiram,Miaofang Chi J. Mater. Chem. A, 2021,9, 2111-2119
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