Cas no 2891520-33-3 (4-chloro-7-(methyl-d3)-7H-pyrrolo[2,3-d]pyrimidine-2,5,6-d3)
![4-chloro-7-(methyl-d3)-7H-pyrrolo[2,3-d]pyrimidine-2,5,6-d3 structure](https://ossimg.kuujia.com/scimg/2892000/2891520-33-3x500.png)
2891520-33-3 structure
Product Name:4-chloro-7-(methyl-d3)-7H-pyrrolo[2,3-d]pyrimidine-2,5,6-d3
CAS No:2891520-33-3
MF:C7H6ClN3
MW:173.632609844208
CID:6823320
PubChem ID:172400221
Update Time:2025-02-15
4-chloro-7-(methyl-d3)-7H-pyrrolo[2,3-d]pyrimidine-2,5,6-d3 Chemical and Physical Properties
Names and Identifiers
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- 2891520-33-3
- 4-chloro-7-(methyl-d3)-7H-pyrrolo[2,3-d]pyrimidine-2,5,6-d3
- CS-19644
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- Inchi： 1S/C7H6ClN3/c1-11-3-2-5-6(8)9-4-10-7(5)11/h2-4H,1H3/i1D3,2D,3D,4D
- InChI Key： BJGDLOLPALCTJQ-RLTMCGQMSA-N
- SMILES： ClC1=C2C([2H])=C([2H])N(C([2H])([2H])[2H])C2=NC([2H])=N1
Computed Properties
- Exact Mass: 173.0626854Da
- Monoisotopic Mass: 173.0626854Da
- Isotope Atom Count: 6
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 11
- Rotatable Bond Count: 0
- Complexity: 153
- 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: 30.7?2
4-chloro-7-(methyl-d3)-7H-pyrrolo[2,3-d]pyrimidine-2,5,6-d3 Related Literature
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Erika A. Cobar,Paul R. Horn,Robert G. Bergman,Martin Head-Gordon Phys. Chem. Chem. Phys., 2012,14, 15328-15339
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J. Matthew Kurley,Phillip W. Halstenberg,Abbey McAlister,Stephen Raiman,Richard T. Mayes RSC Adv., 2019,9, 25602-25608
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Qiao Song,Angela Bamesberger,Lingyun Yang,Haley Houtwed,Haishi Cao Analyst, 2014,139, 3588-3592
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Gang Pan,Yi-jie Bao,Jie Xu,Tao Liu,Cheng Liu,Yan-yan Qiu,Xiao-jing Shi,Hui Yu,Ting-ting Jia,Xia Yuan,Ze-ting Yuan,Yi-jun Cao RSC Adv., 2016,6, 42109-42119
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Thi Thu Tram Nguyen,Thanh Binh Nguyen Org. Biomol. Chem., 2021,19, 6015-6020
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