Cas no 16008-49-4 (4-Pyrimidinecarboxylicacid, 5,6-diamino-)
16008-49-4 structure
Product Name:4-Pyrimidinecarboxylicacid, 5,6-diamino-
CAS No:16008-49-4
MF:C5H6N4O2
MW:154.12673997879
CID:121348
PubChem ID:45122051
Update Time:2025-04-18
4-Pyrimidinecarboxylicacid, 5,6-diamino- Chemical and Physical Properties
Names and Identifiers
-
- 4-Pyrimidinecarboxylicacid, 5,6-diamino-
- 5,6-diaminopyrimidine-4-carboxylic acid
- 16008-49-4
- SCHEMBL13961021
- 5,6-Diaminopyrimidine-4-carboxylicacid
- DTXSID00669277
-
- Inchi： 1S/C5H6N4O2/c6-2-3(5(10)11)8-1-9-4(2)7/h1H,6H2,(H,10,11)(H2,7,8,9)
- InChI Key： WYLDNEQKEWNGBG-UHFFFAOYSA-N
- SMILES： OC(C1C(=C(N)N=CN=1)N)=O
Computed Properties
- Exact Mass: 154.049
- Monoisotopic Mass: 154.049
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 3
- Hydrogen Bond Acceptor Count: 6
- Heavy Atom Count: 11
- Rotatable Bond Count: 1
- Complexity: 163
- 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: -0.4
- Topological Polar Surface Area: 115A^2
4-Pyrimidinecarboxylicacid, 5,6-diamino- Related Literature
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Bruce Parkinson Energy Environ. Sci., 2010,3, 509-511
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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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Alexandre Vimont,Arnaud Travert,Philippe Bazin,Jean-Claude Lavalley,Marco Daturi,Christian Serre,Gérard Férey,Sandrine Bourrelly,Philip L. Llewellyn Chem. Commun., 2007, 3291-3293
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Guang Xu,Wei Zhang,Ying Zhang,Xiaoxia Zhao,Ping Wen,Di Ma RSC Adv., 2018,8, 19353-19361
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Yukiya Kitayama Polym. Chem., 2014,5, 2784-2792
16008-49-4 (4-Pyrimidinecarboxylicacid, 5,6-diamino-) Related Products
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