Cas no 1582-06-5 (4-Pyrimidinamine,2-(1-aziridinyl)-N-(4-fluorophenyl)-6-methyl-5-nitro-)
1582-06-5 structure
Product Name:4-Pyrimidinamine,2-(1-aziridinyl)-N-(4-fluorophenyl)-6-methyl-5-nitro-
CAS No:1582-06-5
MF:C13H12FN5O2
MW:289.265085220337
CID:237501
PubChem ID:243597
Update Time:2025-04-19
4-Pyrimidinamine,2-(1-aziridinyl)-N-(4-fluorophenyl)-6-methyl-5-nitro- Chemical and Physical Properties
Names and Identifiers
-
- 4-Pyrimidinamine,2-(1-aziridinyl)-N-(4-fluorophenyl)-6-methyl-5-nitro-
- 2-(aziridin-1-yl)-N-(4-fluorophenyl)-6-methyl-5-nitropyrimidin-4-amine
- (2-aziridin-1-yl-6-methyl-5-nitro-pyrimidin-4-yl)-(4-fluoro-phenyl)-amine
- 4-< 4-Fluor-anilino> -2-aziridino-6-methyl-5-nitro-pyrimidin
- AC1L6BWP
- AC1Q1YFO
- AR-1C8489
- NSC53685
- DTXSID40287959
- NSC-53685
- 1582-06-5
-
- Inchi： 1S/C13H12FN5O2/c1-8-11(19(20)21)12(17-13(15-8)18-6-7-18)16-10-4-2-9(14)3-5-10/h2-5H,6-7H2,1H3,(H,15,16,17)
- InChI Key： DRNOOCOKXXSBSL-UHFFFAOYSA-N
- SMILES： FC1C=CC(=CC=1)NC1=C(C(C)=NC(=N1)N1CC1)[N+](=O)[O-]
Computed Properties
- Exact Mass: 289.09766
- Monoisotopic Mass: 289.098
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 7
- Heavy Atom Count: 21
- Rotatable Bond Count: 3
- Complexity: 381
- 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: 3.2
- Topological Polar Surface Area: 86.6?2
Experimental Properties
- Density: 1.496
- Boiling Point: 470.9°Cat760mmHg
- Flash Point: 238.6°C
- Refractive Index: 1.693
- PSA: 83.96
- LogP: 3.05710
4-Pyrimidinamine,2-(1-aziridinyl)-N-(4-fluorophenyl)-6-methyl-5-nitro- Related Literature
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Olga Guselnikova,Gérard Audran,Jean-Patrick Joly,Andrii Trelin,Evgeny V. Tretyakov,Vaclav Svorcik,Oleksiy Lyutakov,Sylvain R. A. Marque Chem. Sci., 2021,12, 4154-4161
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Abdelaziz Houmam,Emad M. Hamed Chem. Commun., 2012,48, 11328-11330
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Maomao Hou,Fenglin Zhong,Qiu Jin,Enjiang Liu,Jie Feng,Tengyun Wang,Yue Gao RSC Adv., 2017,7, 34392-34400
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Ziyang Deng,Changwei Chen,Sunliang Cui RSC Adv., 2016,6, 93753-93755
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A. B. F. da Silva,K. Capelle Phys. Chem. Chem. Phys., 2009,11, 4564-4569
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