Basic information
- CAS
29052-39-9- Standard SMILES
CNc1c(N=O)c(=O)[nH]c(=O)n1C- InChIKey
VEMYBCCEXKJJNR-UHFFFAOYSA-N- Molecular formula
- C6H8N4O3
- Average molar mass
- 184.15 g/mol
- Monoisotopic mass
- 184.05964013
Names & identifiers
- Preferred name
- 1-Methyl-6-(methylamino)-5-nitrosopyrimidine-2,4(1h,3h)-dione
- IUPAC
- 1-methyl-6-(methylamino)-5-nitrosopyrimidine-2,4-dione
Names & synonyms
29052-39-91-methyl-6-(methylamino)-5-nitrosopyrimidine-2,4(1h,3h)-dioneDTXSID40292225RefChem:231964DTXCID30243367NSC810072,4(1H,3H)-Pyrimidinedione,1-methyl-6-(methylamino)-5-nitroso-CCG-40403NSC-81007DS-003538
Database identifiers
- CAS
29052-39-9- PubChem CID
- 255441
- DTXSID
DTXSID40292225- Nikkaji
- J2.106.678H
Properties
Computed structural properties
- XLogP
- -0.5
- Topological polar surface area
- 90.9 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 1
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 309
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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