Cas no 65004-49-1 (2-Pyrimidinamine, 4,6-dichloro-5-phenyl-)
65004-49-1 structure
Product Name:2-Pyrimidinamine, 4,6-dichloro-5-phenyl-
CAS No:65004-49-1
MF:C10H7Cl2N3
MW:240.088679552078
CID:4103980
PubChem ID:840767
Update Time:2025-04-22
2-Pyrimidinamine, 4,6-dichloro-5-phenyl- Chemical and Physical Properties
Names and Identifiers
-
- 2-Pyrimidinamine, 4,6-dichloro-5-phenyl-
- 4,6-dichloro-5-phenylpyrimidin-2-amine
- SCHEMBL12495983
- 4,6-dichloro-5-phenyl-2-pyrimidinylamine
- SR-01000314668
- AKOS000546503
- 4,6-Dichloro-5-phenyl-2-pyrimidinamine
- HMS1395C07
- 65004-49-1
- Enamine_000403
- SR-01000314668-1
- DTXSID301284428
-
- Inchi： 1S/C10H7Cl2N3/c11-8-7(6-4-2-1-3-5-6)9(12)15-10(13)14-8/h1-5H,(H2,13,14,15)
- InChI Key： YFXUIRSMMHPSLE-UHFFFAOYSA-N
- SMILES： C1(N)=NC(Cl)=C(C2=CC=CC=C2)C(Cl)=N1
Computed Properties
- Exact Mass: 239.0017026Da
- Monoisotopic Mass: 239.0017026Da
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 15
- Rotatable Bond Count: 1
- Complexity: 197
- 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: 3.4
- Topological Polar Surface Area: 51.8?2
2-Pyrimidinamine, 4,6-dichloro-5-phenyl- Related Literature
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Alexandre Vimont,Arnaud Travert,Philippe Bazin,Jean-Claude Lavalley,Marco Daturi,Christian Serre,Gérard Férey,Sandrine Bourrelly,Philip L. Llewellyn Chem. Commun., 2007, 3291-3293
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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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Manickam Bakthadoss,Tadiparthi Thirupathi Reddy,Vishal Agarwal,Duddu S. Sharada Chem. Commun., 2022,58, 1406-1409
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Ross Harder,David C. Dunand,Ian McNulty Nanoscale, 2017,9, 5686-5693
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