Basic information
- CAS
39641-27-5- Standard SMILES
Cc1cc(NC(=O)N(C)C(N)=O)ccn1- InChIKey
WCQMKWDCSVUNHY-UHFFFAOYSA-N- Molecular formula
- C9H12N4O2
- Average molar mass
- 208.22 g/mol
- Monoisotopic mass
- 208.09602564
Names & identifiers
- Preferred name
- Imidodicarbonic diamide, N,2-dimethyl-N'-4-pyridinyl-
- IUPAC
- 1-carbamoyl-1-methyl-3-(2-methyl-4-pyridinyl)urea
Names & synonyms
1,3-Dimethyl-5-(4-pyridyl)biuretN,2-Dimethyl-N'-4-pyridinylimidodicarbonic diamideImidodicarbonic diamide, N,2-dimethyl-N'-4-pyridinyl-39641-27-5RefChem:348968DTXSID50960266N-Methyl-N-[(2-methylpyridin-4(1H)-ylidene)carbamoyl]carbamimidic acid
Database identifiers
- CAS
39641-27-5- PubChem CID
- 217820
- DTXSID
DTXSID50960266
Properties
Computed structural properties
- XLogP
- 0.8
- Topological polar surface area
- 88.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 256
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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