Cas no 2363780-03-2 (4-bromo-2-(piperazin-1-yl-2,2,3,3,5,5,6,6-d8)pyrimidine)
2363780-03-2 structure
Product Name:4-bromo-2-(piperazin-1-yl-2,2,3,3,5,5,6,6-d8)pyrimidine
CAS No:2363780-03-2
MF:C8H11BrN4
MW:251.153033494949
CID:6824294
PubChem ID:172402623
Update Time:2025-03-01
4-bromo-2-(piperazin-1-yl-2,2,3,3,5,5,6,6-d8)pyrimidine Chemical and Physical Properties
Names and Identifiers
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- CS-22367
- 2363780-03-2
- 4-bromo-2-(piperazin-1-yl-2,2,3,3,5,5,6,6-d8)pyrimidine
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- Inchi： 1S/C8H11BrN4/c9-7-1-2-11-8(12-7)13-5-3-10-4-6-13/h1-2,10H,3-6H2/i3D2,4D2,5D2,6D2
- InChI Key： UPYVVYJYSOBJAS-SQUIKQQTSA-N
- SMILES： BrC1=CC=NC(=N1)N1C([2H])([2H])C([2H])([2H])NC([2H])([2H])C1([2H])[2H]
Computed Properties
- Exact Mass: 250.06692Da
- Monoisotopic Mass: 250.06692Da
- Isotope Atom Count: 8
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 13
- Rotatable Bond Count: 1
- Complexity: 160
- 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: 1
- Topological Polar Surface Area: 41.1?2
4-bromo-2-(piperazin-1-yl-2,2,3,3,5,5,6,6-d8)pyrimidine Related Literature
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Eunhak Lim,Jiyoung Heo,Seong Keun Kim Nanoscale, 2019,11, 11369-11378
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Robert P. Davies,Maria A. Giménez,Laura Patel,Andrew J. P. White Dalton Trans., 2008, 5705-5707
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Yu-Nong Li,Liang-Nian He,Xian-Dong Lang,Xiao-Fang Liu,Shuai Zhang RSC Adv., 2014,4, 49995-50002
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