Cas no 62091-88-7 (4(1H)-Pyrimidinone, 6-hydroxy-5-methyl-2-(1-methylethyl)-)
62091-88-7 structure
Product Name:4(1H)-Pyrimidinone, 6-hydroxy-5-methyl-2-(1-methylethyl)-
CAS No:62091-88-7
MF:C8H12N2O2
MW:168.193081855774
CID:458509
PubChem ID:10171269
Update Time:2025-04-19
4(1H)-Pyrimidinone, 6-hydroxy-5-methyl-2-(1-methylethyl)- Chemical and Physical Properties
Names and Identifiers
-
- 4(1H)-Pyrimidinone, 6-hydroxy-5-methyl-2-(1-methylethyl)-
- 4-hydroxy-5-methyl-2-propan-2-yl-1H-pyrimidin-6-one
- DTXSID40436309
- 62091-88-7
- 2-isopropyl-5-methyl-4,6-pyrimidinediol
- SCHEMBL4418559
- 6-Hydroxy-2-isopropyl-5-methylpyrimidin-4(1H)-one
- AKOS012922711
-
- Inchi： 1S/C8H12N2O2/c1-4(2)6-9-7(11)5(3)8(12)10-6/h4H,1-3H3,(H2,9,10,11,12)
- InChI Key： MLYMLMWKTICTTJ-UHFFFAOYSA-N
- SMILES： OC1=C(C)C(NC(C(C)C)=N1)=O
Computed Properties
- Exact Mass: 168.08996
- Monoisotopic Mass: 168.089877630g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 12
- Rotatable Bond Count: 1
- Complexity: 277
- 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: 0.5
- Topological Polar Surface Area: 61.7?2
Experimental Properties
- PSA: 61.69
4(1H)-Pyrimidinone, 6-hydroxy-5-methyl-2-(1-methylethyl)- Related Literature
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Marcin Czapla,Jack Simons Phys. Chem. Chem. Phys., 2018,20, 21739-21745
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Guiying Zhang,Maosheng Cheng,Yanni Li,Keliang Liu,Lifeng Cai Chem. Commun., 2013,49, 11086-11088
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Yi Cao,Yujiao Xiahou,Lixiang Xing,Xiang Zhang,Hong Li,ChenShou Wu,Haibing Xia Nanoscale, 2020,12, 20456-20466
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Liao Xiaoqing,Li Ruiyi,Li Zaijun,Sun Xiulan,Wang Zhouping,Liu Junkang New J. Chem., 2015,39, 5240-5248
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A. B. F. da Silva,K. Capelle Phys. Chem. Chem. Phys., 2009,11, 4564-4569
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