Cas no 811439-86-8 (2-Propanone,1-[(2-amino-6-methyl-5-nitro-4-pyrimidinyl)amino]-)
![2-Propanone,1-[(2-amino-6-methyl-5-nitro-4-pyrimidinyl)amino]- structure](https://ossimg.kuujia.com/scimg/811500/811439-86-8x500.png)
811439-86-8 structure
Product Name:2-Propanone,1-[(2-amino-6-methyl-5-nitro-4-pyrimidinyl)amino]-
CAS No:811439-86-8
MF:C8H11N5O3
MW:225.204640626907
CID:715266
PubChem ID:45097880
Update Time:2025-04-19
2-Propanone,1-[(2-amino-6-methyl-5-nitro-4-pyrimidinyl)amino]- Chemical and Physical Properties
Names and Identifiers
-
- 2-Propanone,1-[(2-amino-6-methyl-5-nitro-4-pyrimidinyl)amino]-
- 2-Propanone,1-[(2-amino-6-methyl-5-nitro-4-pyrimidinyl)amino]-(9CI)
- 811439-86-8
- SCHEMBL3044184
- 1-((2-Amino-6-methyl-5-nitropyrimidin-4-yl)amino)propan-2-one
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- Inchi： 1S/C8H11N5O3/c1-4(14)3-10-7-6(13(15)16)5(2)11-8(9)12-7/h3H2,1-2H3,(H3,9,10,11,12)
- InChI Key： RELZXZQQDHHWMK-UHFFFAOYSA-N
- SMILES： O=C(C)CNC1C(=C(C)N=C(N)N=1)[N+](=O)[O-]
Computed Properties
- Exact Mass: 225.086
- Monoisotopic Mass: 225.086
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 7
- Heavy Atom Count: 16
- Rotatable Bond Count: 3
- Complexity: 279
- 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
- Topological Polar Surface Area: 127A^2
- XLogP3: 0.7
2-Propanone,1-[(2-amino-6-methyl-5-nitro-4-pyrimidinyl)amino]- Related Literature
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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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Ni-Na Sun,Fengli Qu,Xiaobing Zhang,Shufang Zhang,Jinmao You Analyst, 2015,140, 1827-1831
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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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Hyejin Moon,Aaron R. Wheeler,Robin L. Garrell,Chang-Jin “CJ” Kim Lab Chip, 2006,6, 1213-1219
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Huiying Xu,Lu Zheng,Yu Zhou,Bang-Ce Ye Analyst, 2021,146, 5542-5549
811439-86-8 (2-Propanone,1-[(2-amino-6-methyl-5-nitro-4-pyrimidinyl)amino]-) Related Products
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