Cas no 917594-75-3 (4-Pyrimidinamine, 6-chloro-2-(methylthio)-N-[4-(4-morpholinyl)phenyl]-)
![4-Pyrimidinamine, 6-chloro-2-(methylthio)-N-[4-(4-morpholinyl)phenyl]- structure](https://ossimg.kuujia.com/scimg/918000/917594-75-3x500.png)
917594-75-3 structure
Product Name:4-Pyrimidinamine, 6-chloro-2-(methylthio)-N-[4-(4-morpholinyl)phenyl]-
CAS No:917594-75-3
MF:C15H17ClN4OS
MW:336.839680433273
CID:785821
PubChem ID:11151870
Update Time:2025-04-19
4-Pyrimidinamine, 6-chloro-2-(methylthio)-N-[4-(4-morpholinyl)phenyl]- Chemical and Physical Properties
Names and Identifiers
-
- 4-Pyrimidinamine, 6-chloro-2-(methylthio)-N-[4-(4-morpholinyl)phenyl]-
- 6-chloro-2-methylsulfanyl-N-(4-morpholin-4-ylphenyl)pyrimidin-4-amine
- 917594-75-3
- DTXSID10457086
- SCHEMBL5381106
- 6-chloro-2-(methylthio)-N-(4-morpholinophenyl)pyrimidin-4-amine
-
- Inchi： 1S/C15H17ClN4OS/c1-22-15-18-13(16)10-14(19-15)17-11-2-4-12(5-3-11)20-6-8-21-9-7-20/h2-5,10H,6-9H2,1H3,(H,17,18,19)
- InChI Key： HEDQGPGKTDRXHK-UHFFFAOYSA-N
- SMILES： ClC1=CC(=NC(=N1)SC)NC1C=CC(=CC=1)N1CCOCC1
Computed Properties
- Exact Mass: 336.0811600g/mol
- Monoisotopic Mass: 336.0811600g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 6
- Heavy Atom Count: 22
- Rotatable Bond Count: 4
- Complexity: 338
- 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: 3.6
- Topological Polar Surface Area: 75.6?2
4-Pyrimidinamine, 6-chloro-2-(methylthio)-N-[4-(4-morpholinyl)phenyl]- Related Literature
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Yang Chen,Di Zhou,Zheyi Meng,Jin Zhai Chem. Commun., 2016,52, 10020-10023
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Yuan-Jun Tong,Lu-Dan Yu,Lu-Lu Wu,Shu-Ping Cao,Ru-Ping Liang,Li Zhang,Xing-Hua Xia,Jian-Ding Qiu Chem. Commun., 2018,54, 7487-7490
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Mei-Yu Xu,Ya-Ting Wang,Qing-Ling Ni,Zi-Hao Zhang,Guang-Ming Liang,Liu-Cheng Gui Dalton Trans., 2016,45, 4993-4997
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Jingquan Liu,Huiyun Liu,Zhongfan Jia,Volga Bulmus,Thomas P. Davis Chem. Commun., 2008, 6582-6584
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Muniyandi Sankaralingam,So Hyun Jeon,Yong-Min Lee,Mi Sook Seo,Wonwoo Nam Dalton Trans., 2016,45, 376-383
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