Cas no 64269-42-7 (Pyrimidine, 2-(2-methylpropyl)-5-nitro-)
64269-42-7 structure
Product Name:Pyrimidine, 2-(2-methylpropyl)-5-nitro-
CAS No:64269-42-7
MF:C8H11N3O2
MW:181.191841363907
CID:1675653
PubChem ID:71380182
Update Time:2025-04-21
Pyrimidine, 2-(2-methylpropyl)-5-nitro- Chemical and Physical Properties
Names and Identifiers
-
- Pyrimidine, 2-(2-methylpropyl)-5-nitro-
- 2-(2-methylpropyl)-5-nitropyrimidine
- 64269-42-7
- DTXSID40802707
-
- Inchi： 1S/C8H11N3O2/c1-6(2)3-8-9-4-7(5-10-8)11(12)13/h4-6H,3H2,1-2H3
- InChI Key： FZZMWKNEVVEKQY-UHFFFAOYSA-N
- SMILES： [O-][N+](C1C=NC(CC(C)C)=NC=1)=O
Computed Properties
- Exact Mass: 181.08523
- Monoisotopic Mass: 181.085126602g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 13
- Rotatable Bond Count: 2
- Complexity: 171
- 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: 1.7
- Topological Polar Surface Area: 71.6?2
Experimental Properties
- PSA: 68.92
Pyrimidine, 2-(2-methylpropyl)-5-nitro- Related Literature
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Martin R. Ward,Gary W. Copeland,Andrew J. Alexander Chem. Commun., 2010,46, 7634-7636
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N. Soin,D. Boyer,K. Prashanthi,S. Sharma,A. A. Narasimulu,J. Luo,T. H. Shah,E. Siores,T. Thundat Chem. Commun., 2015,51, 8257-8260
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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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Hui Liu,Deyong Su,Guolin Cheng,Jimin Xu,Xinyan Wang,Yuefei Hu Org. Biomol. Chem., 2010,8, 1899-1904
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Guiying Zhang,Maosheng Cheng,Yanni Li,Keliang Liu,Lifeng Cai Chem. Commun., 2013,49, 11086-11088
64269-42-7 (Pyrimidine, 2-(2-methylpropyl)-5-nitro-) Related Products
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