5-(4-Ethoxy-5-iodo-2-isopropyl-phenoxy)-pyrimidine-2,4-diamine

HCID 57329612

Notes Reactions

Substructure search Find similar structures

Basic information

Standard SMILES: CCOc1cc(C(C)C)c(Oc2cnc(N)nc2N)cc1I
InChIKey: LWUNICOSKAFDRD-UHFFFAOYSA-N
Molecular formula: C15H19IN4O2
Average molar mass: 414.24 g/mol

Names & identifiers

Preferred name: 5-(4-Ethoxy-5-iodo-2-isopropyl-phenoxy)-pyrimidine-2,4-diamine
IUPAC: 5-(4-ethoxy-5-iodo-2-propan-2-ylphenoxy)pyrimidine-2,4-diamine

Names & synonyms

SCHEMBL1494361CHEMBL3717292SCHEMBL29448551LWUNICOSKAFDRD-UHFFFAOYSA-N865304-81-0DB-1182875-(4-ethoxy-5-iodo-2-isopropyl-phenoxy)-pyrimidine-2,4-diamine

Database identifiers

PubChem CID: 57329612
ChEMBL: CHEMBL3717292

Properties

Computed structural properties

XLogP: 3.2
Topological polar surface area: 96.3 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 6
Rotatable bonds: 5
Heavy atoms: 22
Formal charge: 0
Complexity: 348

Related reactions

5 records

New reaction record

HRID 38407As productuspto-grants-2013_09

HRID 81822As productuspto-grants-2014_09

HRID 925182As productuspto-grants-2016_03

HRID 1677323As productuspto-grants-2011_08

HRID 2266151As productuspto-grants-2010_12

Compound notes

Loading…