Cas no 857042-23-0 (2-Pyrimidinamine, 5-bromo-4-(methoxymethyl)-)
857042-23-0 structure
Product Name:2-Pyrimidinamine, 5-bromo-4-(methoxymethyl)-
CAS No:857042-23-0
MF:C6H8BrN3O
MW:218.051219940186
CID:4243704
PubChem ID:86058804
Update Time:2025-04-24
2-Pyrimidinamine, 5-bromo-4-(methoxymethyl)- Chemical and Physical Properties
Names and Identifiers
-
- 2-Pyrimidinamine, 5-bromo-4-(methoxymethyl)-
- 857042-23-0
- 5-Bromo-4-(methoxymethyl)-2-pyrimidinamine
- SCHEMBL22834670
- DB-427567
-
- Inchi： 1S/C6H8BrN3O/c1-11-3-5-4(7)2-9-6(8)10-5/h2H,3H2,1H3,(H2,8,9,10)
- InChI Key： JZSCJQYAEVJEII-UHFFFAOYSA-N
- SMILES： BrC1=CN=C(N)N=C1COC
Computed Properties
- Exact Mass: 216.98507Da
- Monoisotopic Mass: 216.98507Da
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 11
- Rotatable Bond Count: 2
- Complexity: 124
- 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: 0.2
- Topological Polar Surface Area: 61?2
2-Pyrimidinamine, 5-bromo-4-(methoxymethyl)- Related Literature
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Jacob S. Jordan,Evan R. Williams Analyst, 2021,146, 2617-2625
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Ji-Ping Wei Nanoscale, 2015,7, 11815-11832
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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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Norihito Fukui,Keisuke Fujimoto,Hideki Yorimitsu,Atsuhiro Osuka Dalton Trans., 2017,46, 13322-13341
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Jason Wan Lab Chip, 2020,20, 4528-4538
857042-23-0 (2-Pyrimidinamine, 5-bromo-4-(methoxymethyl)-) Related Products
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