Cas no 72668-53-2 (Pyrido[4,3-d]pyrimidine, 4-bromo-2-methyl-)
![Pyrido[4,3-d]pyrimidine, 4-bromo-2-methyl- structure](https://ossimg.kuujia.com/scimg/73000/72668-53-2x500.png)
72668-53-2 structure
Product Name:Pyrido[4,3-d]pyrimidine, 4-bromo-2-methyl-
CAS No:72668-53-2
MF:C8H6BrN3
MW:224.057340145111
CID:1757029
PubChem ID:12486368
Update Time:2025-04-21
Pyrido[4,3-d]pyrimidine, 4-bromo-2-methyl- Chemical and Physical Properties
Names and Identifiers
-
- Pyrido[4,3-d]pyrimidine, 4-bromo-2-methyl-
- 4-bromo-2-methylpyrido[4,3-d]pyrimidine
- 72668-53-2
-
- Inchi： 1S/C8H6BrN3/c1-5-11-7-2-3-10-4-6(7)8(9)12-5/h2-4H,1H3
- InChI Key： MNBOUQPQTNYUSX-UHFFFAOYSA-N
- SMILES： BrC1=C2C=NC=CC2=NC(C)=N1
Computed Properties
- Exact Mass: 222.97458
- Monoisotopic Mass: 222.97451g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 12
- Rotatable Bond Count: 0
- Complexity: 164
- 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: 1.9
- Topological Polar Surface Area: 38.7?2
Experimental Properties
- PSA: 38.67
Pyrido[4,3-d]pyrimidine, 4-bromo-2-methyl- Related Literature
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Xiang Liu,Qian Sun,A. B. Djuri?i?,Maohai Xie,Baohu Dai,Jinyao Tang,Charles Surya,Changzhong Liao,Kaimin Shih RSC Adv., 2015,5, 100783-100789
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Yang Xu,Min Wang,Donghui Wei,Rongqiang Tian,Zheng Duan,Fran?ois Mathey Dalton Trans., 2019,48, 5523-5526
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Luis Miguel Azofra,Douglas R. MacFarlane,Chenghua Sun Chem. Commun., 2016,52, 3548-3551
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Alvin Tanudjaja,Shinsuke Inagi,Fusao Kitamura,Toshikazu Takata,Ikuyoshi Tomita Dalton Trans., 2021,50, 3037-3043
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P. K. Wawrzyniak,M. T. P. Beerepoot,H. J. M. de Groot,F. Buda Phys. Chem. Chem. Phys., 2011,13, 10270-10279
72668-53-2 (Pyrido[4,3-d]pyrimidine, 4-bromo-2-methyl-) Related Products
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