Cas no 54410-87-6 (4-Pyrimidinamine, 2-(ethylthio)-5-methyl-)
54410-87-6 structure
Product Name:4-Pyrimidinamine, 2-(ethylthio)-5-methyl-
CAS No:54410-87-6
MF:C7H11N3S
MW:169.247339487076
CID:2195808
Update Time:2023-08-06
4-Pyrimidinamine, 2-(ethylthio)-5-methyl- Chemical and Physical Properties
Names and Identifiers
-
- 2-(Ethylthio)-5-methyl-4-pyrimidinamine
- 4-Pyrimidinamine, 2-(ethylthio)-5-methyl-
- RJSCZCQGOQBUIH-UHFFFAOYSA-N
- 2-(Ethylsulfanyl)-5-methyl-4-pyrimidinylamine #
-
- Inchi： 1S/C7H11N3S/c1-3-11-7-9-4-5(2)6(8)10-7/h4H,3H2,1-2H3,(H2,8,9,10)
- InChI Key： RJSCZCQGOQBUIH-UHFFFAOYSA-N
- SMILES： S(CC)C1=NC=C(C)C(N)=N1
Computed Properties
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 11
- Rotatable Bond Count: 2
- Complexity: 120
- Topological Polar Surface Area: 77.1
4-Pyrimidinamine, 2-(ethylthio)-5-methyl- Related Literature
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Thi Thu Tram Nguyen,Thanh Binh Nguyen Org. Biomol. Chem., 2021,19, 6015-6020
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Weili Dai,Guangjun Wu,Michael Hunger Chem. Commun., 2015,51, 13779-13782
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Norihito Fukui,Keisuke Fujimoto,Hideki Yorimitsu,Atsuhiro Osuka Dalton Trans., 2017,46, 13322-13341
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Chung-Sung Yang,Mong-Shian Shih,Fang-Yi Chang New J. Chem., 2006,30, 729-735
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Maomao Hou,Fenglin Zhong,Qiu Jin,Enjiang Liu,Jie Feng,Tengyun Wang,Yue Gao RSC Adv., 2017,7, 34392-34400
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