Cas no 90993-92-3 (5-Pyrimidinecarboxylicacid, 4-amino-, hydrate (1:1))
90993-92-3 structure
Product Name:5-Pyrimidinecarboxylicacid, 4-amino-, hydrate (1:1)
CAS No:90993-92-3
MF:C5H7N3O3
MW:157.127380609512
CID:799085
PubChem ID:45117792
Update Time:2025-04-19
5-Pyrimidinecarboxylicacid, 4-amino-, hydrate (1:1) Chemical and Physical Properties
Names and Identifiers
-
- 5-Pyrimidinecarboxylicacid, 4-amino-, hydrate (1:1)
- 4-aminopyrimidine-5-carboxylic acid,hydrate
- 5-Pyrimidinecarboxylic acid, 4-amino-, hydrate (7CI)
- DTXSID30668672
- 5-pyrimidinecarboxylic acid,4-amino-,hydrate
- 90993-92-3
- 4-Aminopyrimidine-5-carboxylic acid--water (1/1)
- 4-Aminopyrimidine-5-carboxylic acid hydrate
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- Inchi： 1S/C5H5N3O2.H2O/c6-4-3(5(9)10)1-7-2-8-4;/h1-2H,(H,9,10)(H2,6,7,8);1H2
- InChI Key： YVTXYLOOYPUFRC-UHFFFAOYSA-N
- SMILES： OC(C1=CN=CN=C1N)=O.O
Computed Properties
- Exact Mass: 157.049
- Monoisotopic Mass: 157.049
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 3
- Hydrogen Bond Acceptor Count: 6
- Heavy Atom Count: 11
- Rotatable Bond Count: 1
- Complexity: 139
- Covalently-Bonded Unit Count: 2
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 90.1A^2
5-Pyrimidinecarboxylicacid, 4-amino-, hydrate (1:1) Related Literature
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M. Sheykhan,S. Khani,S. Shaabanzadeh,M. Joafshan Green Chem., 2017,19, 5940-5948
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Alvin Tanudjaja,Shinsuke Inagi,Fusao Kitamura,Toshikazu Takata,Ikuyoshi Tomita Dalton Trans., 2021,50, 3037-3043
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Sandip Gangadhar Balwe,Yeon Tae Jeong Org. Biomol. Chem., 2018,16, 1287-1296
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Jing Chen,Yu Shao,Danzhen Li J. Mater. Chem. A, 2017,5, 937-941
90993-92-3 (5-Pyrimidinecarboxylicacid, 4-amino-, hydrate (1:1)) Related Products
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