Cas no 61456-90-4 (4(1H)-Pyrimidinone, 2-(2,2-dimethylpropyl)-6-hydroxy-)
61456-90-4 structure
Product Name:4(1H)-Pyrimidinone, 2-(2,2-dimethylpropyl)-6-hydroxy-
CAS No:61456-90-4
MF:C9H14N2O2
MW:182.219662189484
CID:478609
PubChem ID:12320328
Update Time:2025-04-19
4(1H)-Pyrimidinone, 2-(2,2-dimethylpropyl)-6-hydroxy- Chemical and Physical Properties
Names and Identifiers
-
- 4(1H)-Pyrimidinone, 2-(2,2-dimethylpropyl)-6-hydroxy-
- 2-(2,2-dimethylpropyl)-4-hydroxy-1H-pyrimidin-6-one
- AKOS013205016
- DTXSID40488383
- 2-(2,2-Dimethylpropyl)-6-hydroxypyrimidin-4(3H)-one
- 6-Hydroxy-2-neopentylpyrimidin-4(1H)-one
- 61456-90-4
-
- Inchi： 1S/C9H14N2O2/c1-9(2,3)5-6-10-7(12)4-8(13)11-6/h4H,5H2,1-3H3,(H2,10,11,12,13)
- InChI Key： GWJMJOIQZBCWJH-UHFFFAOYSA-N
- SMILES： OC1=CC(NC(CC(C)(C)C)=N1)=O
Computed Properties
- Exact Mass: 182.10562
- Monoisotopic Mass: 182.105527694g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 13
- Rotatable Bond Count: 2
- Complexity: 285
- 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: 0.8
- Topological Polar Surface Area: 61.7?2
Experimental Properties
- PSA: 61.69
4(1H)-Pyrimidinone, 2-(2,2-dimethylpropyl)-6-hydroxy- Related Literature
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David White,Sean R. Stowell Biomater. Sci., 2017,5, 463-474
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2. 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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Jason Wan Lab Chip, 2020,20, 4528-4538
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Jacob S. Jordan,Evan R. Williams Analyst, 2021,146, 2617-2625
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Gang Pan,Yi-jie Bao,Jie Xu,Tao Liu,Cheng Liu,Yan-yan Qiu,Xiao-jing Shi,Hui Yu,Ting-ting Jia,Xia Yuan,Ze-ting Yuan,Yi-jun Cao RSC Adv., 2016,6, 42109-42119
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