Cas no 2256707-11-4 (2-(1H-pyrazol-1-yl-d3)pyrimidin-5,6-d2-4-amine)
2256707-11-4 structure
Product Name:2-(1H-pyrazol-1-yl-d3)pyrimidin-5,6-d2-4-amine
CAS No:2256707-11-4
MF:C7H7N5
MW:166.194788217545
CID:6816370
PubChem ID:172405604
Update Time:2025-03-02
2-(1H-pyrazol-1-yl-d3)pyrimidin-5,6-d2-4-amine Chemical and Physical Properties
Names and Identifiers
-
- 2-(1H-pyrazol-1-yl-d3)pyrimidin-5,6-d2-4-amine
- 2256707-11-4
- CS-21701
-
- Inchi： 1S/C7H7N5/c8-6-2-4-9-7(11-6)12-5-1-3-10-12/h1-5H,(H2,8,9,11)/i1D,2D,3D,4D,5D
- InChI Key： WBUBVCMVKQFIKM-RALIUCGRSA-N
- SMILES： N1(C([2H])=C([2H])C([2H])=N1)C1N=C([2H])C([2H])=C(N)N=1
Computed Properties
- Exact Mass: 166.10152897Da
- Monoisotopic Mass: 166.10152897Da
- Isotope Atom Count: 5
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 12
- Rotatable Bond Count: 1
- Complexity: 151
- 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: 69.6?2
2-(1H-pyrazol-1-yl-d3)pyrimidin-5,6-d2-4-amine Related Literature
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Huiying Xu,Lu Zheng,Yu Zhou,Bang-Ce Ye Analyst, 2021,146, 5542-5549
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Yang Xu,Min Wang,Donghui Wei,Rongqiang Tian,Zheng Duan,Fran?ois Mathey Dalton Trans., 2019,48, 5523-5526
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Jingquan Liu,Huiyun Liu,Zhongfan Jia,Volga Bulmus,Thomas P. Davis Chem. Commun., 2008, 6582-6584
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Muniyandi Sankaralingam,So Hyun Jeon,Yong-Min Lee,Mi Sook Seo,Wonwoo Nam Dalton Trans., 2016,45, 376-383
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Siquan Zhang,Shengyao Wang,Liping Guo,Hao Chen,Bien Tan,Shangbin Jin J. Mater. Chem. C, 2020,8, 192-200
2256707-11-4 (2-(1H-pyrazol-1-yl-d3)pyrimidin-5,6-d2-4-amine) Related Products
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