Cas no 918444-85-6 (Pyrimidine, 2-[2-(1,1-dimethylethoxy)ethoxy]-4,6-dimethoxy-5-nitro-)
918444-85-6 structure
Product Name:Pyrimidine, 2-[2-(1,1-dimethylethoxy)ethoxy]-4,6-dimethoxy-5-nitro-
CAS No:918444-85-6
MF:C12H19N3O6
MW:301.295763254166
CID:775532
PubChem ID:57824803
Update Time:2025-04-19
Pyrimidine, 2-[2-(1,1-dimethylethoxy)ethoxy]-4,6-dimethoxy-5-nitro- Chemical and Physical Properties
Names and Identifiers
-
- Pyrimidine, 2-[2-(1,1-dimethylethoxy)ethoxy]-4,6-dimethoxy-5-nitro-
- 4,6-dimethoxy-2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]-5-nitropyrimidine
- 918444-85-6
- 2-(2-tert-Butoxyethoxy)-4,6-dimethoxy-5-nitropyrimidine
- DTXSID90728024
- GITXEPHEKWFOEZ-UHFFFAOYSA-N
- SCHEMBL4231507
-
- Inchi: 1S/C12H19N3O6/c1-12(2,3)21-7-6-20-11-13-9(18-4)8(15(16)17)10(14-11)19-5/h6-7H2,1-5H3
- InChI Key: GITXEPHEKWFOEZ-UHFFFAOYSA-N
- SMILES: O(CCOC1N=C(C(=C(N=1)OC)[N+](=O)[O-])OC)C(C)(C)C
Computed Properties
- Exact Mass: 301.12738533g/mol
- Monoisotopic Mass: 301.12738533g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 8
- Heavy Atom Count: 21
- Rotatable Bond Count: 7
- Complexity: 316
- 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: 1.8
- Topological Polar Surface Area: 109?2
Pyrimidine, 2-[2-(1,1-dimethylethoxy)ethoxy]-4,6-dimethoxy-5-nitro- Related Literature
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Shaun D. Wong,Edward I. Solomon Dalton Trans., 2014,43, 17567-17577
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2. Estimation of hydrogen sulfide from crude petroleum: a unique invention using a simple chemosensor?Shampa Kundu,Prithidipa Sahoo New J. Chem., 2019,43, 12369-12374
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Vitaly Gurylev,Chung-Yi Su,Tsong-Pyng Perng Phys. Chem. Chem. Phys., 2016,18, 16033-16038
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Erika A. Cobar,Paul R. Horn,Robert G. Bergman,Martin Head-Gordon Phys. Chem. Chem. Phys., 2012,14, 15328-15339
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5. Estimating and correcting interference fringes in infrared spectra in infrared hyperspectral imagingGhazal Azarfar,Ebrahim Aboualizadeh,Nicholas M. Walter,Simona Ratti,Camilla Olivieri,Alessandra Norici,Michael Nasse,Achim Kohler,Mario Giordano Analyst, 2018,143, 4674-4683
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