Basic information
- Standard SMILES
C=CCCN(N)c1nc(Cl)ncc1C(=O)Nc1c(C)cccc1C- InChIKey
BOJIMCZVPHOFKL-UHFFFAOYSA-N- Molecular formula
- C17H20ClN5O
- Average molar mass
- 345.8 g/mol
- Monoisotopic mass
- 345.135638
Names & identifiers
- Preferred name
- 4-(1-(but-3-enyl)hydrazinyl)-2-chloro-N-(2,6-dimethylphenyl)pyrimidine-5-carboxamide
- IUPAC
- 4-[amino(but-3-enyl)amino]-2-chloro-N-(2,6-dimethylphenyl)pyrimidine-5-carboxamide
Names & synonyms
SCHEMBL2949449BOJIMCZVPHOFKL-UHFFFAOYSA-N4-(1-(but-3-enyl)hydrazinyl)-2-chloro-N-(2,6-dimethylphenyl)pyrimidine-5-carboxamide
Database identifiers
- PubChem CID
- 58836879
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 84.1 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 6
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 425
Related reactions
3 records
Compound notes
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