Basic information
- Standard SMILES
CCc1ncnc(NC2CCC(c3ccccc3)CC2)c1I- InChIKey
BAFNUBATMOALEM-UHFFFAOYSA-N- Molecular formula
- C18H22IN3
- Average molar mass
- 407.3 g/mol
- Monoisotopic mass
- 407.08585
Names & identifiers
- Preferred name
- 6-Ethyl-5-iodo-4-(cis-4-phenylcyclohexylamino)pyrimidine
- IUPAC
- 6-ethyl-5-iodo-N-(4-phenylcyclohexyl)pyrimidin-4-amine
Names & synonyms
SCHEMBL8693147SCHEMBL8693150BAFNUBATMOALEM-GASCZTMLSA-N6-Ethyl-5-iodo-4-(cis-4-phenylcyclohexylamino)pyrimidine
Database identifiers
- PubChem CID
- 22097409
Properties
Computed structural properties
- XLogP
- 5
- Topological polar surface area
- 37.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 324
Related reactions
2 records
Compound notes
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