Cas no 57054-85-0 (4(1H)-Pyrimidinone, 5-bromo-2-(dimethylamino)-)
57054-85-0 structure
Product Name:4(1H)-Pyrimidinone, 5-bromo-2-(dimethylamino)-
CAS No:57054-85-0
MF:C6H8BrN3O
MW:218.051219940186
CID:346758
PubChem ID:15620533
Update Time:2025-04-19
4(1H)-Pyrimidinone, 5-bromo-2-(dimethylamino)- Chemical and Physical Properties
Names and Identifiers
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- 4(1H)-Pyrimidinone, 5-bromo-2-(dimethylamino)-
- 5-bromo-2-(dimethylamino)-1H-pyrimidin-6-one
- DTXSID40575888
- 5-Bromo-2-(dimethylamino)pyrimidin-4(3H)-one
- 57054-85-0
- 5-Bromo-2-(dimethylamino)pyrimidin-4(1H)-one
- AKOS015659385
-
- Inchi： 1S/C6H8BrN3O/c1-10(2)6-8-3-4(7)5(11)9-6/h3H,1-2H3,(H,8,9,11)
- InChI Key： QAVCLCBXWYPEHC-UHFFFAOYSA-N
- SMILES： BrC1=CN=C(NC1=O)N(C)C
Computed Properties
- Exact Mass: 216.98514
- Monoisotopic Mass: 216.98507g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 11
- Rotatable Bond Count: 1
- Complexity: 244
- 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: 0.2
- Topological Polar Surface Area: 44.7?2
Experimental Properties
- PSA: 44.7
4(1H)-Pyrimidinone, 5-bromo-2-(dimethylamino)- Related Literature
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Vitaly Gurylev,Chung-Yi Su,Tsong-Pyng Perng Phys. Chem. Chem. Phys., 2016,18, 16033-16038
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Ana G. Neo,Ana Bornadiego,Jesús Díaz,Stefano Marcaccini,Carlos F. Marcos Org. Biomol. Chem., 2013,11, 6546-6555
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Martin R. Ward,Gary W. Copeland,Andrew J. Alexander Chem. Commun., 2010,46, 7634-7636
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4. Estimating and correcting interference fringes in infrared spectra in infrared hyperspectral imagingGhazal Azarfar,Ebrahim Aboualizadeh,Nicholas M. Walter,Simona Ratti,Camilla Olivieri,Alessandra Norici,Michael Nasse,Achim Kohler,Mario Giordano Analyst, 2018,143, 4674-4683
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Yong Ping Huang,Tao Tao,Zheng Chen,Wei Han,Ying Wu,Chunjiang Kuang,Shaoxiong Zhou,Ying Chen J. Mater. Chem. A, 2014,2, 18831-18837
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