Cas no 461658-59-3 (2-Methoxycarbonyl-4-chloro-5-amino-6-methoxypyrimidine)
461658-59-3 structure
Product Name:2-Methoxycarbonyl-4-chloro-5-amino-6-methoxypyrimidine
CAS No:461658-59-3
MF:C7H8ClN3O3
MW:217.609720230103
CID:2109527
Update Time:2023-08-04
2-Methoxycarbonyl-4-chloro-5-amino-6-methoxypyrimidine Chemical and Physical Properties
Names and Identifiers
-
- methyl 5-amino-4-chloro-6-methoxypyrimidine-2-carboxylate
- 2-methoxycarbonyl-4-chloro-5-amino-6-methoxypyrimidine
- 2-Methoxycarbonyl-4-chloro-5-amino-6-methoxypyrimidine
-
- Inchi： 1S/C7H8ClN3O3/c1-13-6-3(9)4(8)10-5(11-6)7(12)14-2/h9H2,1-2H3
- InChI Key： NISOUGYKDBGHSH-UHFFFAOYSA-N
- SMILES： ClC1=C(C(=NC(C(=O)OC)=N1)OC)N
Computed Properties
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 6
- Heavy Atom Count: 14
- Rotatable Bond Count: 3
- Complexity: 216
- Topological Polar Surface Area: 87.3
2-Methoxycarbonyl-4-chloro-5-amino-6-methoxypyrimidine Related Literature
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Christopher B. Rodell,Christopher B. Highley,Minna H. Chen,Neville N. Dusaj,Chao Wang,Lin Han,Jason A. Burdick Soft Matter, 2016,12, 7839-7847
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Gloria Belén Ramírez-Rodríguez,José Manuel Delgado-López,Jaime Gómez-Morales CrystEngComm, 2013,15, 2206-2212
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A. B. F. da Silva,K. Capelle Phys. Chem. Chem. Phys., 2009,11, 4564-4569
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Xiaotong Feng,Lei Bian,Jie Ma,Lei Zhou,Xiayan Wang,Guangsheng Guo,Qiaosheng Pu Chem. Commun., 2019,55, 3963-3966
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Joseph W. Bennett,Diamond T. Jones,Blake G. Hudson,Joshua Melendez-Rivera,Robert J. Hamers,Sara E. Mason Environ. Sci.: Nano, 2020,7, 1642-1651
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