Cas no 1185316-25-9 (4-bromo-2-(methyl-d3)pyrimidine)
1185316-25-9 structure
Product Name:4-bromo-2-(methyl-d3)pyrimidine
CAS No:1185316-25-9
MF:C5H5BrN2
MW:176.029084920883
CID:6810742
PubChem ID:45787569
Update Time:2025-03-28
4-bromo-2-(methyl-d3)pyrimidine Chemical and Physical Properties
Names and Identifiers
-
- 4-bromo-2-(methyl-d3)-pyrimidine
- 4-Bromo-2-(methyl-d3)pyrimidine
- DTXSID401303631
- AKOS015944374
- CS-24695
- 1185316-25-9
- 4-bromo-2-(methyl-d3)pyrimidine
-
- Inchi： 1S/C5H5BrN2/c1-4-7-3-2-5(6)8-4/h2-3H,1H3/i1D3
- InChI Key： OJPQVYZLQGRFSO-FIBGUPNXSA-N
- SMILES： BrC1=CC=NC(C([2H])([2H])[2H])=N1
Computed Properties
- Exact Mass: 174.98244Da
- Monoisotopic Mass: 174.98244Da
- Isotope Atom Count: 3
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 8
- Rotatable Bond Count: 0
- Complexity: 76.8
- 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: 1.6
- Topological Polar Surface Area: 25.8?2
4-bromo-2-(methyl-d3)pyrimidine Related Literature
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Albertus D. Handoko,Khoong Hong Khoo,Teck Leong Tan,Hongmei Jin,Zhi Wei Seh J. Mater. Chem. A, 2018,6, 21885-21890
-
Qiaoe Wang,Meiling Lian,Xiaowen Zhu,Xu Chen RSC Adv., 2021,11, 192-197
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Yukiya Kitayama Polym. Chem., 2014,5, 2784-2792
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Abdelaziz Houmam,Emad M. Hamed Chem. Commun., 2012,48, 11328-11330
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