Cas no 1448870-03-8 (5-bromo-4-methoxy-N-methyl-2-Pyrimidinamine)
1448870-03-8 structure
Product Name:5-bromo-4-methoxy-N-methyl-2-Pyrimidinamine
CAS No:1448870-03-8
MF:C6H8BrN3O
MW:218.051219940186
CID:2135851
Update Time:2023-11-19
5-bromo-4-methoxy-N-methyl-2-Pyrimidinamine Chemical and Physical Properties
Names and Identifiers
-
- 5-bromo-4-methoxy-N-methyl-2-Pyrimidinamine
- LKKJSJZLSKYQSI-UHFFFAOYSA-N
- 5-bromo-4-methoxy-N-methylpyrimidin-2-amine
- 5-Bromo-4-methoxy-pyrimidin-2-yl-methyl-amine
- 2-Pyrimidinamine, 5-bromo-4-methoxy-N-methyl-
- (5-Bromo-4-methoxy-pyrimidin-2-yl)-methyl-amine
- CID 80859278
-
- Inchi： 1S/C6H8BrN3O/c1-8-6-9-3-4(7)5(10-6)11-2/h3H,1-2H3,(H,8,9,10)
- InChI Key： LKKJSJZLSKYQSI-UHFFFAOYSA-N
- SMILES： BrC1C=NC(=NC=1OC)NC
Computed Properties
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 11
- Rotatable Bond Count: 2
- Complexity: 124
- Topological Polar Surface Area: 47
Experimental Properties
- Density: 1.608±0.06 g/cm3(Predicted)
- Boiling Point: 318.5±45.0 °C(Predicted)
- pka: 3.95±0.10(Predicted)
5-bromo-4-methoxy-N-methyl-2-Pyrimidinamine Related Literature
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Hongxia Li,Aikifa Raza,Qiaoyu Ge,Jin-You Lu,TieJun Zhang Soft Matter, 2020,16, 6841-6849
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Aloke Das,K. K. Mahato,Chayan K. Nandi,Tapas Chakraborty,Shridhar R. Gadre,Nikhil A. Gokhale Phys. Chem. Chem. Phys., 2002,4, 2162-2168
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Yong Ping Huang,Tao Tao,Zheng Chen,Wei Han,Ying Wu,Chunjiang Kuang,Shaoxiong Zhou,Ying Chen J. Mater. Chem. A, 2014,2, 18831-18837
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Yaling Zhang,Chunhui Dai,Shiwei Zhou,Bin Liu Chem. Commun., 2018,54, 10092-10095
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Jing Yu,Yu-Qi Lyu,Jiapeng Liu,Mohammed B. Effat,Junxiong Wu J. Mater. Chem. A, 2019,7, 17995-18002
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