Cas no 2241865-57-4 (4-bromopyrimidin-5,6-d2-2-amine)
2241865-57-4 structure
Product Name:4-bromopyrimidin-5,6-d2-2-amine
CAS No:2241865-57-4
MF:C4H4BrN3
MW:176.010982513428
CID:6820307
PubChem ID:172402416
Update Time:2025-03-03
4-bromopyrimidin-5,6-d2-2-amine Chemical and Physical Properties
Names and Identifiers
-
- 4-bromopyrimidin-5,6-d2-2-amine
- CS-22025
- 2241865-57-4
-
- Inchi： 1S/C4H4BrN3/c5-3-1-2-7-4(6)8-3/h1-2H,(H2,6,7,8)/i1D,2D
- InChI Key： MINURGGJJKMQQQ-QDNHWIQGSA-N
- SMILES： BrC1=C([2H])C([2H])=NC(N)=N1
Computed Properties
- Exact Mass: 174.97141Da
- Monoisotopic Mass: 174.97141Da
- Isotope Atom Count: 2
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 8
- Rotatable Bond Count: 0
- Complexity: 77.7
- 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: 0.9
- Topological Polar Surface Area: 51.8?2
4-bromopyrimidin-5,6-d2-2-amine Related Literature
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Bo Cao,Yin Wei Chem. Commun., 2018,54, 2870-2873
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Xixi Li,Nanwei Zhu,Ruohan Li,Qinpu Zhang Anal. Methods, 2020,12, 3376-3381
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Huabin Zhang,Shaowu Du CrystEngComm, 2014,16, 4059-4068
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