Cas no 412341-12-9 (4-Pyrimidinamine,5-nitroso-)
4-Pyrimidinamine,5-nitroso- structure
Product Name:4-Pyrimidinamine,5-nitroso-
CAS No:412341-12-9
MF:C4H4N4O
MW:124.100759506226
CID:326454
PubChem ID:22321587
Update Time:2025-04-19
4-Pyrimidinamine,5-nitroso- Chemical and Physical Properties
Names and Identifiers
-
- 4-Pyrimidinamine,5-nitroso-
- 4-Pyrimidinamine, 5-nitroso- (9CI)
- 4-Pyrimidinamine,5-nitroso-(9ci)
- 412341-12-9
- 6-amino-5-nitrosopyrimidine
- SCHEMBL5437618
-
- Inchi： 1S/C4H4N4O/c5-4-3(8-9)1-6-2-7-4/h1-2H,(H2,5,6,7)
- InChI Key： WWGSAFQXHHPCTK-UHFFFAOYSA-N
- SMILES： O=NC1=CN=CN=C1N
Computed Properties
- Exact Mass: 124.03851076g/mol
- Monoisotopic Mass: 124.03851076g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 9
- Rotatable Bond Count: 0
- Complexity: 107
- 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: -0.2
- Topological Polar Surface Area: 81.2?2
4-Pyrimidinamine,5-nitroso- Related Literature
-
Xiaoming Liu,Zachary D. Hood,Wangda Li,Donovan N. Leonard,Arumugam Manthiram,Miaofang Chi J. Mater. Chem. A, 2021,9, 2111-2119
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Erika A. Cobar,Paul R. Horn,Robert G. Bergman,Martin Head-Gordon Phys. Chem. Chem. Phys., 2012,14, 15328-15339
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Brindha J.,Balamurali M. M.,Kaushik Chanda RSC Adv., 2019,9, 34720-34734
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