Cas no 52011-72-0 ((5e)-2-amino-5-hydroxyimino-1h-pyrimidine-4,6-dione)
52011-72-0 structure
Product Name:(5e)-2-amino-5-hydroxyimino-1h-pyrimidine-4,6-dione
CAS No:52011-72-0
MF:C4H4N4O3
MW:156.099559783936
CID:936225
PubChem ID:263075
Update Time:2025-04-19
(5e)-2-amino-5-hydroxyimino-1h-pyrimidine-4,6-dione Chemical and Physical Properties
Names and Identifiers
-
- (5e)-2-amino-5-hydroxyimino-1h-pyrimidine-4,6-dione
- 4,6-Pyrimidinediol, 2-amino-5-nitroso-
- NSC-97327
- SCHEMBL13833302
- 5-hydroxyimino-2-imino-hexahydropyrimidine-4,6-dione
- 2-amino-6-hydroxy-5-nitroso-3,4-dihydropyrimidin-4-one
- 55482-22-9
- 5-(Hydroxyimino)-2-imino-2,5-dihydropyrimidine-4,6-diol
- DTXSID30966347
- 2-Amino-6-hydroxy-5-nitrosopyrimidin-4(3H)-one
- CHEMBL55165
- NSC97327
- 2-Amino-5-nitroso-4,6-pyrimidinediol
- 52011-72-0
- SCHEMBL7766478
- 2-amino-4-hydroxy-5-nitroso-1H-pyrimidin-6-one
- 2-AMINO-4,6-DIHYDROXY-5-NITROSOPYRIMIDINE
- AKOS006271766
- 2-Iminodihydro-4,5,6(1H)-pyrimidinetrione 5-oxime
- NSC 97327
-
- Inchi： 1S/C4H4N4O3/c5-4-6-2(9)1(8-11)3(10)7-4/h(H4,5,6,7,9,10)
- InChI Key： NXTPQVKFPBRMRH-UHFFFAOYSA-N
- SMILES： OC1=C(C(NC(N)=N1)=O)N=O
Computed Properties
- Exact Mass: 156.02842
- Monoisotopic Mass: 156.028
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 3
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 11
- Rotatable Bond Count: 0
- Complexity: 279
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 1
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 117A^2
- XLogP3: -1.3
Experimental Properties
- Density: 2.19
- Boiling Point: °Cat760mmHg
- Flash Point: °C
- Refractive Index: 1.861
- PSA: 117.14
(5e)-2-amino-5-hydroxyimino-1h-pyrimidine-4,6-dione Related Literature
-
Norihito Fukui,Keisuke Fujimoto,Hideki Yorimitsu,Atsuhiro Osuka Dalton Trans., 2017,46, 13322-13341
-
Qiao Song,Angela Bamesberger,Lingyun Yang,Haley Houtwed,Haishi Cao Analyst, 2014,139, 3588-3592
-
Gloria Belén Ramírez-Rodríguez,José Manuel Delgado-López,Jaime Gómez-Morales CrystEngComm, 2013,15, 2206-2212
-
Joo Chuan Yeo,Kenry Lab Chip, 2016,16, 4082-4090
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