Basic information
- Standard SMILES
C=Cc1cc(Oc2cnc(N)nc2N)c(C(C)C)cc1OC- InChIKey
HWOXEFDCDKPLIL-UHFFFAOYSA-N- Molecular formula
- C16H20N4O2
- Average molar mass
- 300.36 g/mol
Names & identifiers
- Preferred name
- 5-(2-Isopropyl-4-methoxy-5-vinyl-phenoxy)-pyrimidine-2,4-diamine
- IUPAC
- 5-(5-ethenyl-4-methoxy-2-propan-2-ylphenoxy)pyrimidine-2,4-diamine
Names & synonyms
SCHEMBL1494006CHEMBL3717207SCHEMBL29448540HWOXEFDCDKPLIL-UHFFFAOYSA-N5-(2-Isopropyl-4-methoxy-5-vinyl-phenoxy)-pyrimidine-2,4-diamine
Database identifiers
- PubChem CID
- 57328958
- ChEMBL
CHEMBL3717207
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 96.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 5
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 366
Related reactions
6 records
Compound notes
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