Cas no 1185318-23-3 (4-Chloro-6-(methyl-d3)-pyrimidine)
1185318-23-3 structure
Product Name:4-Chloro-6-(methyl-d3)-pyrimidine
CAS No:1185318-23-3
MF:C5H5ClN2
MW:131.57808470726
CID:6810834
PubChem ID:45788051
Update Time:2025-03-28
4-Chloro-6-(methyl-d3)-pyrimidine Chemical and Physical Properties
Names and Identifiers
-
- AKOS015944278
- 1185318-23-3
- 4-Chloro-6-(methyl-d3)-pyrimidine
- CS-18746
-
- Inchi： 1S/C5H5ClN2/c1-4-2-5(6)8-3-7-4/h2-3H,1H3/i1D3
- InChI Key： MVAXKFAQKTWRAH-FIBGUPNXSA-N
- SMILES： ClC1=CC(C([2H])([2H])[2H])=NC=N1
Computed Properties
- Exact Mass: 131.0329561Da
- Monoisotopic Mass: 131.0329561Da
- Isotope Atom Count: 3
- 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: 1.5
- Topological Polar Surface Area: 25.8?2
4-Chloro-6-(methyl-d3)-pyrimidine Related Literature
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Jingquan Liu,Huiyun Liu,Zhongfan Jia,Volga Bulmus,Thomas P. Davis Chem. Commun., 2008, 6582-6584
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2. An integrated microfluidic 3D tumor system for parallel and high-throughput chemotherapy evaluation?Dan Liu,Rui Hu,Zhongchao Huang,Meilin Sun,Kai Han Analyst, 2020,145, 6447-6455
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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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Huiying Xu,Lu Zheng,Yu Zhou,Bang-Ce Ye Analyst, 2021,146, 5542-5549
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Teresita Carrillo-Hernández,Philippe Schaeffer,Pierre Albrecht Chem. Commun., 2001, 1976-1977
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