Cas no 56742-16-6 (2-amino-6-(4-azidophenyl)-5-bromo-1h-pyrimidin-4-one)
56742-16-6 structure
Product Name:2-amino-6-(4-azidophenyl)-5-bromo-1h-pyrimidin-4-one
CAS No:56742-16-6
MF:C10H7BrN6O
MW:307.106179475784
CID:945889
PubChem ID:135440995
Update Time:2025-04-19
2-amino-6-(4-azidophenyl)-5-bromo-1h-pyrimidin-4-one Chemical and Physical Properties
Names and Identifiers
-
- 2-amino-6-(4-azidophenyl)-5-bromo-1h-pyrimidin-4-one
- AC1NP3N7
- NSC163414
- NSC-163414
- DTXSID60408301
- 56742-16-6
-
- Inchi： 1S/C10H7BrN6O/c11-7-8(14-10(12)15-9(7)18)5-1-3-6(4-2-5)16-17-13/h1-4H,(H3,12,14,15,18)
- InChI Key： LDGPFBUUGRYOOG-UHFFFAOYSA-N
- SMILES： BrC1C(NC(N)=NC=1C1C=CC(=CC=1)N=[N+]=[N-])=O
Computed Properties
- Exact Mass: 305.98661
- Monoisotopic Mass: 305.986
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 18
- Rotatable Bond Count: 2
- Complexity: 471
- 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
- Topological Polar Surface Area: 81.8A^2
- XLogP3: 2.2
Experimental Properties
- PSA: 116.24
- LogP: 2.75736
2-amino-6-(4-azidophenyl)-5-bromo-1h-pyrimidin-4-one Related Literature
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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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Chao-Han Cheng,Wen-Zhen Wang,Shie-Ming Peng,I-Chia Chen Phys. Chem. Chem. Phys., 2017,19, 25471-25477
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Min Kim,Jae-Joon Lee,Tengling Ye,Panagiotis E. Keivanidis,Kilwon Cho J. Mater. Chem. C, 2020,8, 1686-1696
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Tao Wang,Yangyang Liu,Yue Deng,Hongbo Fu,Jianmin Chen Environ. Sci.: Nano, 2018,5, 1821-1833
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