Cas no 83961-89-1 (2,4-Pyrimidinediamine,5-nitroso-)
83961-89-1 structure
Product Name:2,4-Pyrimidinediamine,5-nitroso-
CAS No:83961-89-1
MF:C4H5N5O
MW:139.115399122238
CID:706968
PubChem ID:21666875
Update Time:2025-04-19
2,4-Pyrimidinediamine,5-nitroso- Chemical and Physical Properties
Names and Identifiers
-
- 2,4-Pyrimidinediamine,5-nitroso-
- 2,4-Pyrimidinediamine, 5-nitroso- (9CI)
- 83961-89-1
- SCHEMBL2097469
- 2,4-Pyrimidinediamine,5-nitroso-(9ci)
-
- Inchi： 1S/C4H5N5O/c5-3-2(9-10)1-7-4(6)8-3/h1H,(H4,5,6,7,8)
- InChI Key： JIIMLHCFNYIROG-UHFFFAOYSA-N
- SMILES： O=NC1=CN=C(N)N=C1N
Computed Properties
- Exact Mass: 139.049
- Monoisotopic Mass: 139.049
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 6
- Heavy Atom Count: 10
- Rotatable Bond Count: 0
- Complexity: 129
- 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: 107A^2
- XLogP3: -0.6
2,4-Pyrimidinediamine,5-nitroso- Related Literature
-
Huiying Xu,Lu Zheng,Yu Zhou,Bang-Ce Ye Analyst, 2021,146, 5542-5549
-
Huabin Zhang,Shaowu Du CrystEngComm, 2014,16, 4059-4068
-
Yang Xu,Min Wang,Donghui Wei,Rongqiang Tian,Zheng Duan,Fran?ois Mathey Dalton Trans., 2019,48, 5523-5526
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