5-(5-Fluoro-2-isopropyl-4-methoxy-phenoxy)-pyrimidine-2,4-diamine

HCID 44573644

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

Related reactions

3 records

Compound notes

Loading…