Cas no 89445-59-0 (5-Pyrimidinecarbonitrile, 4-amino-6-(4-methoxyphenyl)-2-(methylthio)-)
89445-59-0 structure
Product Name:5-Pyrimidinecarbonitrile, 4-amino-6-(4-methoxyphenyl)-2-(methylthio)-
CAS No:89445-59-0
MF:C13H12N4OS
MW:272.325580596924
CID:600327
PubChem ID:6487045
Update Time:2025-04-19
5-Pyrimidinecarbonitrile, 4-amino-6-(4-methoxyphenyl)-2-(methylthio)- Chemical and Physical Properties
Names and Identifiers
-
- 5-Pyrimidinecarbonitrile, 4-amino-6-(4-methoxyphenyl)-2-(methylthio)-
- 4-amino-6-(4-methoxyphenyl)-2-methylsulfanylpyrimidine-5-carbonitrile
- 89445-59-0
- 4-amino-5-cyano-2-methylthio-6-(4-methoxyphenyl)-pyrimidine
- DTXSID20424582
- 4-Amino-6-(4-methoxyphenyl)-2-(methylthio)pyrimidine-5-carbonitrile
- AKOS000736314
-
- Inchi： 1S/C13H12N4OS/c1-18-9-5-3-8(4-6-9)11-10(7-14)12(15)17-13(16-11)19-2/h3-6H,1-2H3,(H2,15,16,17)
- InChI Key： JYLIZLLSDDKHOI-UHFFFAOYSA-N
- SMILES： S(C)C1=NC(=C(C#N)C(C2C=CC(=CC=2)OC)=N1)N
Computed Properties
- Exact Mass: 272.07318219g/mol
- Monoisotopic Mass: 272.07318219g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 6
- Heavy Atom Count: 19
- Rotatable Bond Count: 3
- Complexity: 337
- 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: 2.6
- Topological Polar Surface Area: 110?2
5-Pyrimidinecarbonitrile, 4-amino-6-(4-methoxyphenyl)-2-(methylthio)- Related Literature
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Xu Jie,Deng Xu,Weili Wei RSC Adv., 2019,9, 29149-29153
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Erika A. Cobar,Paul R. Horn,Robert G. Bergman,Martin Head-Gordon Phys. Chem. Chem. Phys., 2012,14, 15328-15339
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Saeideh Mirfakhraei,Malak Hekmati,Fereshteh Hosseini Eshbala,Hojat Veisi New J. Chem., 2018,42, 1757-1761
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Martin R. Ward,Gary W. Copeland,Andrew J. Alexander Chem. Commun., 2010,46, 7634-7636
89445-59-0 (5-Pyrimidinecarbonitrile, 4-amino-6-(4-methoxyphenyl)-2-(methylthio)-) Related Products
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