Cas no 478920-91-1 (Butanenitrile, 4-[(6-amino-2-methoxy-4-pyrimidinyl)oxy]-)
![Butanenitrile, 4-[(6-amino-2-methoxy-4-pyrimidinyl)oxy]- structure](https://ossimg.kuujia.com/scimg/479000/478920-91-1x500.png)
478920-91-1 structure
Product Name:Butanenitrile, 4-[(6-amino-2-methoxy-4-pyrimidinyl)oxy]-
CAS No:478920-91-1
MF:C9H12N4O2
MW:208.21718120575
CID:2828738
PubChem ID:11287240
Update Time:2025-04-21
Butanenitrile, 4-[(6-amino-2-methoxy-4-pyrimidinyl)oxy]- Chemical and Physical Properties
Names and Identifiers
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- DTXSID00461233
- 4-((6-Amino-2-methoxypyrimidin-4-yl)oxy)butanenitrile
- 478920-91-1
- SCHEMBL7121368
- Butanenitrile, 4-[(6-amino-2-methoxy-4-pyrimidinyl)oxy]-
-
- Inchi： 1S/C9H12N4O2/c1-14-9-12-7(11)6-8(13-9)15-5-3-2-4-10/h6H,2-3,5H2,1H3,(H2,11,12,13)
- InChI Key： JGKLPNOTWLWDQP-UHFFFAOYSA-N
- SMILES： O(C1C=C(N)N=C(N=1)OC)CCCC#N
Computed Properties
- Exact Mass: 208.09602564Da
- Monoisotopic Mass: 208.09602564Da
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 6
- Heavy Atom Count: 15
- Rotatable Bond Count: 5
- Complexity: 227
- 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: 0.5
- Topological Polar Surface Area: 94.1?2
Butanenitrile, 4-[(6-amino-2-methoxy-4-pyrimidinyl)oxy]- Related Literature
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Kaiyuan Huang,Wangkang Qiu,Meilian Ou,Xiaorui Liu,Zenan Liao,Sheng Chu RSC Adv., 2020,10, 18824-18829
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Supaporn Sawadjoon,Joseph S. M. Samec Org. Biomol. Chem., 2011,9, 2548-2554
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Jingquan Liu,Huiyun Liu,Zhongfan Jia,Volga Bulmus,Thomas P. Davis Chem. Commun., 2008, 6582-6584
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Philipp Traber,Stephan Kupfer,Stefanie Gr?fe,Isabelle Baussanne,Martine Demeunynck,Jean-Marie Mouesca,Serge Gambarelli,Vincent Artero,Murielle Chavarot-Kerlidou Chem. Sci., 2018,9, 4152-4159
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