Basic information
- Standard SMILES
COCCOc1nc2ccc(I)cc2n1-c1ccnc(N)n1- InChIKey
BBIOIGGRBXUINJ-UHFFFAOYSA-N- Molecular formula
- C14H14IN5O2
- Average molar mass
- 411.2 g/mol
Names & identifiers
- Preferred name
- 4-[6-Iodo-2-(2-methoxyethoxy)-1,3-benzodiazol-1-yl]pyrimidin-2-amine
- IUPAC
- 4-[6-iodo-2-(2-methoxyethoxy)benzimidazol-1-yl]pyrimidin-2-amine
Names & synonyms
SCHEMBL11970502BBIOIGGRBXUINJ-UHFFFAOYSA-N4-[6-iodo-2-(2-methoxyethoxy)-1,3-benzodiazol-1-yl]pyrimidin-2-amine4-[6-iodo-2-(2-methoxyethoxy)-1H-1,3-benzodiazol-1-yl]pyrimidin-2-amine
Database identifiers
- PubChem CID
- 68181597
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 88.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 5
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 364
Related reactions
3 records
Compound notes
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