Cas no 2891519-82-5 (2-(methyl-d3)pyrimidin-4,6-d2-5-ol)
2891519-82-5 structure
Product Name:2-(methyl-d3)pyrimidin-4,6-d2-5-ol
CAS No:2891519-82-5
MF:C5H6N2O
MW:115.144749164581
CID:6827891
PubChem ID:172403589
Update Time:2025-02-15
2-(methyl-d3)pyrimidin-4,6-d2-5-ol Chemical and Physical Properties
Names and Identifiers
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- CS-26173
- 2-(methyl-d3)pyrimidin-4,6-d2-5-ol
- 2891519-82-5
-
- Inchi： 1S/C5H6N2O/c1-4-6-2-5(8)3-7-4/h2-3,8H,1H3/i1D3,2D,3D
- InChI Key： OHFVPBGSKPYIED-RHIBPKLGSA-N
- SMILES： OC1C([2H])=NC(C([2H])([2H])[2H])=NC=1[2H]
Computed Properties
- Exact Mass: 115.079396549Da
- Monoisotopic Mass: 115.079396549Da
- Isotope Atom Count: 5
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- 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: 0.2
- Topological Polar Surface Area: 46?2
2-(methyl-d3)pyrimidin-4,6-d2-5-ol Related Literature
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Qiyuan Wu,Shangmin Xiong,Peichuan Shen,Shen Zhao,Alexander Orlov Catal. Sci. Technol., 2015,5, 2059-2064
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Guang Xu,Wei Zhang,Ying Zhang,Xiaoxia Zhao,Ping Wen,Di Ma RSC Adv., 2018,8, 19353-19361
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Shintaro Takata,Yoshihiro Miura Phys. Chem. Chem. Phys., 2014,16, 24784-24789
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Aloke Das,K. K. Mahato,Chayan K. Nandi,Tapas Chakraborty,Shridhar R. Gadre,Nikhil A. Gokhale Phys. Chem. Chem. Phys., 2002,4, 2162-2168
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Weili Dai,Guangjun Wu,Michael Hunger Chem. Commun., 2015,51, 13779-13782
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