Cas no 866154-33-8 (4,6-Bis(4-fluorophenoxy)pyrimidin-2-amine)
866154-33-8 structure
Product Name:4,6-Bis(4-fluorophenoxy)pyrimidin-2-amine
CAS No:866154-33-8
MF:C16H11F2N3O2
MW:315.274250268936
CID:5739794
PubChem ID:3710008
Update Time:2023-11-10
4,6-Bis(4-fluorophenoxy)pyrimidin-2-amine Chemical and Physical Properties
Names and Identifiers
-
- 4,6-bis(4-fluorophenoxy)pyrimidin-2-amine
- 2-Pyrimidinamine, 4,6-bis(4-fluorophenoxy)-
- MS-1505
- AKOS005107246
- 866154-33-8
- 4,6-bis(4-fluorophenoxy)-2-pyrimidinamine
- 4,6-Bis(4-fluorophenoxy)pyrimidin-2-amine
-
- Inchi: 1S/C16H11F2N3O2/c17-10-1-5-12(6-2-10)22-14-9-15(21-16(19)20-14)23-13-7-3-11(18)4-8-13/h1-9H,(H2,19,20,21)
- InChI Key: KTEMTBPJENMZEZ-UHFFFAOYSA-N
- SMILES: C1(N)=NC(OC2=CC=C(F)C=C2)=CC(OC2=CC=C(F)C=C2)=N1
Computed Properties
- Exact Mass: 315.08193293g/mol
- Monoisotopic Mass: 315.08193293g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 7
- Heavy Atom Count: 23
- Rotatable Bond Count: 4
- Complexity: 329
- 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: 3.8
- Topological Polar Surface Area: 70.3?2
Experimental Properties
- Density: 1.384±0.06 g/cm3(Predicted)
- Boiling Point: 476.6±55.0 °C(Predicted)
- pka: 4.75±0.10(Predicted)
4,6-Bis(4-fluorophenoxy)pyrimidin-2-amine Related Literature
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Zhizhen Lai,Mo Zhang,Jinyu Zhou,Tianjing Chen,Dan Li,Xuejing Shen,Jia Liu,Jiang Zhou,Zhili Li Analyst, 2021,146, 4261-4267
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Gang Pan,Yi-jie Bao,Jie Xu,Tao Liu,Cheng Liu,Yan-yan Qiu,Xiao-jing Shi,Hui Yu,Ting-ting Jia,Xia Yuan,Ze-ting Yuan,Yi-jun Cao RSC Adv., 2016,6, 42109-42119
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Norihito Fukui,Keisuke Fujimoto,Hideki Yorimitsu,Atsuhiro Osuka Dalton Trans., 2017,46, 13322-13341
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Huading Zhang,Lee R. Moore,Maciej Zborowski,P. Stephen Williams,Shlomo Margel,Jeffrey J. Chalmers Analyst, 2005,130, 514-527
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Amit Kumar Majhi,Subbarao Kanchi,V. Venkataraman,K. G. Ayappa,Prabal K. Maiti Soft Matter, 2015,11, 8632-8640
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