Cas no 138143-63-2 (4(1H)-Pyrimidinone, 2-amino-5-bromo-6-phenyl-, monoacetate)
138143-63-2 structure
Product Name:4(1H)-Pyrimidinone, 2-amino-5-bromo-6-phenyl-, monoacetate
CAS No:138143-63-2
MF:C12H12BrN3O3
MW:326.145981788635
CID:2772598
Update Time:2023-08-07
4(1H)-Pyrimidinone, 2-amino-5-bromo-6-phenyl-, monoacetate Chemical and Physical Properties
Names and Identifiers
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- 4(1H)-Pyrimidinone, 2-amino-5-bromo-6-phenyl-, monoacetate
- Acetic acid--2-amino-5-bromo-6-phenylpyrimidin-4(1H)-one (1/1)
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- Inchi： 1S/C10H8BrN3O.C2H4O2/c11-7-8(6-4-2-1-3-5-6)13-10(12)14-9(7)15;1-2(3)4/h1-5H,(H3,12,13,14,15);1H3,(H,3,4)
- InChI Key： GYJZJGOIRUDULY-UHFFFAOYSA-N
- SMILES： BrC1C(NC(N)=NC=1C1C=CC=CC=1)=O.OC(C)=O
Computed Properties
- Hydrogen Bond Donor Count: 3
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 19
- Rotatable Bond Count: 1
- Complexity: 374
- Topological Polar Surface Area: 105
4(1H)-Pyrimidinone, 2-amino-5-bromo-6-phenyl-, monoacetate Related Literature
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Hyejin Moon,Aaron R. Wheeler,Robin L. Garrell,Chang-Jin “CJ” Kim Lab Chip, 2006,6, 1213-1219
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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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Kanjun Sun,Fengting Hua,Shuzhen Cui,Yanrong Zhu,Hui Peng,Guofu Ma RSC Adv., 2021,11, 37631-37642
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Bidyut Kumar Kundu,Rinky Singh,Ritudhwaj Tiwari,Debasis Nayak New J. Chem., 2019,43, 4867-4877
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Hamid Heydari,Mohammad B. Gholivand New J. Chem., 2017,41, 237-244
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