Cas no 1513-74-2 (5-nitro-2-(trifluoromethyl)pyrimidine-4,6-diamine)
1513-74-2 structure
Product Name:5-nitro-2-(trifluoromethyl)pyrimidine-4,6-diamine
CAS No:1513-74-2
MF:C5H4F3N5O2
MW:223.112770080566
CID:1324580
PubChem ID:33695442
Update Time:2025-04-20
5-nitro-2-(trifluoromethyl)pyrimidine-4,6-diamine Chemical and Physical Properties
Names and Identifiers
-
- 5-nitro-2-(trifluoromethyl)pyrimidine-4,6-diamine
- 4,6-pyrimidinediamine, 5-nitro-2-(trifluoromethyl)-
- LogP
- AKOS A0602-0709
- PYRIMIDINE, 4,6-DIAMINO-5-NITRO-2-(TRIFLUOROMETHYL)-
- AKOS000320563
- DTXSID10652817
- DB-368765
- 1513-74-2
-
- Inchi： 1S/C5H4F3N5O2/c6-5(7,8)4-11-2(9)1(13(14)15)3(10)12-4/h(H4,9,10,11,12)
- InChI Key： ZQOKVPMMZCLXPQ-UHFFFAOYSA-N
- SMILES： FC(C1=NC(=C(C(N)=N1)[N+](=O)[O-])N)(F)F
Computed Properties
- Exact Mass: 223.03182
- Monoisotopic Mass: 223.03170887g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 9
- Heavy Atom Count: 15
- Rotatable Bond Count: 0
- Complexity: 242
- 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: 124?2
Experimental Properties
- PSA: 120.96
5-nitro-2-(trifluoromethyl)pyrimidine-4,6-diamine Related Literature
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Yang Xu,Min Wang,Donghui Wei,Rongqiang Tian,Zheng Duan,Fran?ois Mathey Dalton Trans., 2019,48, 5523-5526
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Raheleh Torabi,Hedayatollah Ghourchian,Massoud Amanlou Org. Biomol. Chem., 2016,14, 8141-8153
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Haitao Li,Yu Pan,Zhizhi Wang,Shan Chen,Ruixin Guo,Jianqiu Chen RSC Adv., 2015,5, 100775-100782
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4. An all-solid-state imprinted polymer-based potentiometric sensor for determination of bisphenol S?Rongning Liang,Tanji Yin,Ruiqing Yao,Wei Qin RSC Adv., 2016,6, 73308-73312
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Doug Ogrin,Laura H. van Poppel,Simon G. Bott,Andrew R. Barron Dalton Trans., 2004, 3689-3694
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