Cas no 66380-47-0 (4-PYRIMIDINAMINE, 6-CHLORO-2-(METHYLSULFINYL)-)
66380-47-0 structure
Product Name:4-PYRIMIDINAMINE, 6-CHLORO-2-(METHYLSULFINYL)-
CAS No:66380-47-0
MF:C5H6ClN3OS
MW:191.638638019562
CID:3314986
PubChem ID:15563630
Update Time:2025-04-21
4-PYRIMIDINAMINE, 6-CHLORO-2-(METHYLSULFINYL)- Chemical and Physical Properties
Names and Identifiers
-
- 4-PYRIMIDINAMINE, 6-CHLORO-2-(METHYLSULFINYL)-
- 4-AMINO-6-CHLORO-2-MERCAPTOPYRIMIDINE S-ME, S-OXIDE(WXG02981)
- 4-AMINO-6-CHLORO-2-MERCAPTOPYRIMIDINE S-ME, S-OXIDE
- 6-chloro-2-methanesulfinylpyrimidin-4-amine
- SCHEMBL2550206
- 4-Pyrimidinamine,6-chloro-2-(methylsulfinyl)-
- 6-chloro-2-(methylsulfinyl)pyrimidine-4-amine
- 6-chloro-2-(methylsulfinyl)pyrimidin-4-amine
- 6-chloro-2-methylsulfinylpyrimidin-4-amine
- ATTAJQLEJJIUAA-UHFFFAOYSA-N
- 66380-47-0
-
- Inchi： 1S/C5H6ClN3OS/c1-11(10)5-8-3(6)2-4(7)9-5/h2H,1H3,(H2,7,8,9)
- InChI Key： ATTAJQLEJJIUAA-UHFFFAOYSA-N
- SMILES： C1(S(C)=O)=NC(Cl)=CC(N)=N1
Computed Properties
- Exact Mass: 190.9920107Da
- Monoisotopic Mass: 190.9920107Da
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 11
- Rotatable Bond Count: 1
- Complexity: 168
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 1
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 0.3
- Topological Polar Surface Area: 88.1?2
4-PYRIMIDINAMINE, 6-CHLORO-2-(METHYLSULFINYL)- Related Literature
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Adeline Huiling Loo,Alessandra Bonanni,Martin Pumera Analyst, 2013,138, 467-471
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Huiying Xu,Lu Zheng,Yu Zhou,Bang-Ce Ye Analyst, 2021,146, 5542-5549
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Luis Miguel Azofra,Douglas R. MacFarlane,Chenghua Sun Chem. Commun., 2016,52, 3548-3551
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Supaporn Sawadjoon,Joseph S. M. Samec Org. Biomol. Chem., 2011,9, 2548-2554
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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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