Cas no 500161-14-8 (4-Hydroxy-2-methyl-5-propan-2-yl-1H-pyrimidin-6-one)
500161-14-8 structure
Product Name:4-Hydroxy-2-methyl-5-propan-2-yl-1H-pyrimidin-6-one
CAS No:500161-14-8
MF:C8H12N2O2
MW:168.193081855774
CID:933081
Update Time:2023-08-02
4-Hydroxy-2-methyl-5-propan-2-yl-1H-pyrimidin-6-one Chemical and Physical Properties
Names and Identifiers
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- 4(1H)-Pyrimidinone,6-hydroxy-2-methyl-5-(1-methylethyl)-(9CI)
- 6-Hydroxy-5-isopropyl-2-methylpyrimidin-4(1H)-one
- 4-Hydroxy-2-methyl-5-propan-2-yl-1H-pyrimidin-6-one
-
- Inchi: 1S/C8H12N2O2/c1-4(2)6-7(11)9-5(3)10-8(6)12/h4H,1-3H3,(H2,9,10,11,12)
- InChI Key: SGLPFUQRUKYRHP-UHFFFAOYSA-N
- SMILES: OC1=C(C(NC(C)=N1)=O)C(C)C
Computed Properties
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 12
- Rotatable Bond Count: 1
- Complexity: 277
- Topological Polar Surface Area: 61.7
4-Hydroxy-2-methyl-5-propan-2-yl-1H-pyrimidin-6-one Related Literature
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Huifang Yang,Haoran Guo,Peidong Fan,Xinpan Li,Wenlu Ren,Rui Song Nanoscale, 2020,12, 7024-7034
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Yu-Nong Li,Liang-Nian He,Xian-Dong Lang,Xiao-Fang Liu,Shuai Zhang RSC Adv., 2014,4, 49995-50002
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Haitao Li,Yu Pan,Zhizhi Wang,Shan Chen,Ruixin Guo,Jianqiu Chen RSC Adv., 2015,5, 100775-100782
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