Cas no 825654-64-6 (5-Quinazolinamine, 7-fluoro-2-methyl-)
825654-64-6 structure
Product Name:5-Quinazolinamine, 7-fluoro-2-methyl-
CAS No:825654-64-6
MF:C9H8FN3
MW:177.178324699402
CID:687525
PubChem ID:17985041
Update Time:2025-04-19
5-Quinazolinamine, 7-fluoro-2-methyl- Chemical and Physical Properties
Names and Identifiers
-
- 5-Quinazolinamine, 7-fluoro-2-methyl-
- 7-fluoro-2-methylquinazolin-5-amine
- DTXSID60591944
- SCHEMBL332110
- 7-fluoro-2-methylquinazolin-5-ylamine
- 5-amino-7-fluoro-2-methylquinazoline
- DKMWPODBNHOMHH-UHFFFAOYSA-N
- 825654-64-6
-
- Inchi： 1S/C9H8FN3/c1-5-12-4-7-8(11)2-6(10)3-9(7)13-5/h2-4H,11H2,1H3
- InChI Key： DKMWPODBNHOMHH-UHFFFAOYSA-N
- SMILES： FC1C=C(C2=CN=C(C)N=C2C=1)N
Computed Properties
- Exact Mass: 177.07022543g/mol
- Monoisotopic Mass: 177.07022543g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 13
- Rotatable Bond Count: 0
- Complexity: 188
- 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: 1.4
- Topological Polar Surface Area: 51.8?2
5-Quinazolinamine, 7-fluoro-2-methyl- Related Literature
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Govind Reddy Mol. Syst. Des. Eng., 2021,6, 779-789
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Chengbin Yang,Hing Lun Tsang,Pui Man Lau,Ken-Tye Yong,Ho Pui Ho,Siu Kai Kong Analyst, 2017,142, 3579-3587
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Inês S. Albuquerque,Hélia F. Jeremias,Miguel Chaves-Ferreira,Dijana Matak-Vinkovic,Omar Boutureira,Carlos C. Rom?o Chem. Commun., 2015,51, 3993-3996
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James D. Kirkham,Patrick M. Delaney,George J. Ellames,Eleanor C. Row,Joseph P. A. Harrity Chem. Commun., 2010,46, 5154-5156
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