Cas no 2363779-19-3 (4-bromo-N,N-bis(methyl-d3)pyrimidin-2-amine-5,6-d2)
2363779-19-3 structure
Product Name:4-bromo-N,N-bis(methyl-d3)pyrimidin-2-amine-5,6-d2
CAS No:2363779-19-3
MF:C6H8BrN3
MW:210.101113319397
CID:6824280
PubChem ID:172400984
Update Time:2025-03-01
4-bromo-N,N-bis(methyl-d3)pyrimidin-2-amine-5,6-d2 Chemical and Physical Properties
Names and Identifiers
-
- 2363779-19-3
- 4-bromo-N,N-bis(methyl-d3)pyrimidin-2-amine-5,6-d2
- CS-22353
-
- Inchi： 1S/C6H8BrN3/c1-10(2)6-8-4-3-5(7)9-6/h3-4H,1-2H3/i1D3,2D3,3D,4D
- InChI Key： NFAWNOWYQSOGHA-PIODKIDGSA-N
- SMILES： BrC1=C([2H])C([2H])=NC(=N1)N(C([2H])([2H])[2H])C([2H])([2H])[2H]
Computed Properties
- Exact Mass: 209.04037Da
- Monoisotopic Mass: 209.04037Da
- Isotope Atom Count: 8
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 10
- Rotatable Bond Count: 1
- Complexity: 107
- 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: 1.7
- Topological Polar Surface Area: 29?2
4-bromo-N,N-bis(methyl-d3)pyrimidin-2-amine-5,6-d2 Related Literature
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Jieun Kim,Han-Saem Park,Tae-Hee Kim,Sung Yeol Kim,Hyun-Kon Song Phys. Chem. Chem. Phys., 2014,16, 5295-5300
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Huabin Zhang,Shaowu Du CrystEngComm, 2014,16, 4059-4068
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Richa Sardessai,Shobhana Krishnaswamy,Mysore S. Shashidhar CrystEngComm, 2012,14, 8010-8016
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Huiying Xu,Lu Zheng,Yu Zhou,Bang-Ce Ye Analyst, 2021,146, 5542-5549
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Philipp Traber,Stephan Kupfer,Stefanie Gr?fe,Isabelle Baussanne,Martine Demeunynck,Jean-Marie Mouesca,Serge Gambarelli,Vincent Artero,Murielle Chavarot-Kerlidou Chem. Sci., 2018,9, 4152-4159
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