Cas no 89099-77-4 (2-Pyrimidinamine, 4-chloro-N-(2,2-diethoxyethyl)-6-(4-morpholinyl)-)
89099-77-4 structure
Product Name:2-Pyrimidinamine, 4-chloro-N-(2,2-diethoxyethyl)-6-(4-morpholinyl)-
CAS No:89099-77-4
MF:C14H23ClN4O3
MW:330.810422182083
CID:612391
PubChem ID:71322034
Update Time:2025-04-19
2-Pyrimidinamine, 4-chloro-N-(2,2-diethoxyethyl)-6-(4-morpholinyl)- Chemical and Physical Properties
Names and Identifiers
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- 2-Pyrimidinamine, 4-chloro-N-(2,2-diethoxyethyl)-6-(4-morpholinyl)-
- 4-chloro-N-(2,2-diethoxyethyl)-6-morpholin-4-ylpyrimidin-2-amine
- DTXSID20751764
- 4-Chloro-N-(2,2-diethoxyethyl)-6-(morpholin-4-yl)pyrimidin-2-amine
- 89099-77-4
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- Inchi: 1S/C14H23ClN4O3/c1-3-21-13(22-4-2)10-16-14-17-11(15)9-12(18-14)19-5-7-20-8-6-19/h9,13H,3-8,10H2,1-2H3,(H,16,17,18)
- InChI Key: OQYHVHLANAEXPC-UHFFFAOYSA-N
- SMILES: ClC1=CC(=NC(=N1)NCC(OCC)OCC)N1CCOCC1
Computed Properties
- Exact Mass: 330.1458683g/mol
- Monoisotopic Mass: 330.1458683g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 7
- Heavy Atom Count: 22
- Rotatable Bond Count: 8
- Complexity: 302
- 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: 2.2
- Topological Polar Surface Area: 68.7?2
2-Pyrimidinamine, 4-chloro-N-(2,2-diethoxyethyl)-6-(4-morpholinyl)- Related Literature
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Olga Guselnikova,Gérard Audran,Jean-Patrick Joly,Andrii Trelin,Evgeny V. Tretyakov,Vaclav Svorcik,Oleksiy Lyutakov,Sylvain R. A. Marque Chem. Sci., 2021,12, 4154-4161
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Zhiyan Chen,Nan Wu,Yaobing Wang,Bing Wang,Yingde Wang J. Mater. Chem. A, 2018,6, 516-526
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Amit Kumar Majhi,Subbarao Kanchi,V. Venkataraman,K. G. Ayappa,Prabal K. Maiti Soft Matter, 2015,11, 8632-8640
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Ivor Lon?ari? Phys. Chem. Chem. Phys., 2015,17, 9436-9445
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