Cas no 5177-14-0 (4-Pyrimidinamine,2-chloro-N,6-dimethyl-5-nitro-)
5177-14-0 structure
Product Name:4-Pyrimidinamine,2-chloro-N,6-dimethyl-5-nitro-
CAS No:5177-14-0
MF:C6H7ClN4O2
MW:202.59837937355
CID:381903
PubChem ID:281657
Update Time:2025-04-19
4-Pyrimidinamine,2-chloro-N,6-dimethyl-5-nitro- Chemical and Physical Properties
Names and Identifiers
-
- 4-Pyrimidinamine,2-chloro-N,6-dimethyl-5-nitro-
- 2-chloro-N,6-dimethyl-5-nitropyrimidin-4-amine
- AC1L5UVM
- AC1Q3PO9
- AR-1E0639
- CTK6I5000
- MolPort-000-872-715
- NSC134520
- SBB092997
- STL227844
- 5177-14-0
- AKOS000320463
- NSC-134520
- DTXSID10300063
-
- Inchi： 1S/C6H7ClN4O2/c1-3-4(11(12)13)5(8-2)10-6(7)9-3/h1-2H3,(H,8,9,10)
- InChI Key： PXSQHPDRGYDOGZ-UHFFFAOYSA-N
- SMILES： ClC1=NC(C)=C(C(=N1)NC)[N+](=O)[O-]
Computed Properties
- Exact Mass: 202.02591
- Monoisotopic Mass: 202.026
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 13
- Rotatable Bond Count: 1
- Complexity: 198
- 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: 2.3
- Topological Polar Surface Area: 83.6?2
Experimental Properties
- Density: 1.496
- Boiling Point: 385.6°Cat760mmHg
- Flash Point: 187°C
- Refractive Index: 1.632
- PSA: 80.95
- LogP: 1.98450
4-Pyrimidinamine,2-chloro-N,6-dimethyl-5-nitro- Related Literature
-
Yu-Nong Li,Liang-Nian He,Xian-Dong Lang,Xiao-Fang Liu,Shuai Zhang RSC Adv., 2014,4, 49995-50002
-
Siquan Zhang,Shengyao Wang,Liping Guo,Hao Chen,Bien Tan,Shangbin Jin J. Mater. Chem. C, 2020,8, 192-200
-
Bidou Wang,Xifeng Chen Analyst, 2014,139, 5695-5699
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Chongyang Zhu,Xiaojia Bian,Xin Jia,Ning Tang,Yongqiang Cheng Food Funct., 2020,11, 10635-10644
-
P. K. Wawrzyniak,M. T. P. Beerepoot,H. J. M. de Groot,F. Buda Phys. Chem. Chem. Phys., 2011,13, 10270-10279
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