Basic information
- Standard SMILES
COc1cc(C(C)C)c(Oc2cnc(N)nc2N)cc1F- InChIKey
VOSYPTXKTNWRPD-UHFFFAOYSA-N- Molecular formula
- C14H17FN4O2
- Average molar mass
- 292.31 g/mol
Names & identifiers
- Preferred name
- 5-(5-Fluoro-2-isopropyl-4-methoxy-phenoxy)-pyrimidine-2,4-diamine
- IUPAC
- 5-(5-fluoro-4-methoxy-2-propan-2-ylphenoxy)pyrimidine-2,4-diamine
Names & synonyms
CHEMBL494940SCHEMBL1494306SCHEMBL29448541VOSYPTXKTNWRPD-UHFFFAOYSA-NBDBM50413369DB-1853485-(5-Fluoro-2-isopropyl-4-methoxy-phenoxy)-pyrimidine-2,4-diamine5-(5-fluoro-2-isopropyl-4-methoxyphenoxy)pyrimidine-2,4-diamine5-(5-Fluro-2-isopropyl-4-methoxy-phenoxy)-pyrimidine-2,4-diamine865347-24-6
Database identifiers
- PubChem CID
- 44573644
- ChEMBL
CHEMBL494940
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 96.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 4
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 334
Related reactions
3 records
Compound notes
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