4-(4-ethoxyphenyl)-6-(2-methoxyphenoxy)pyrimidin-5-amine

C19H19N3O3 — CID 90488473

IUPAC4-(4-ethoxyphenyl)-6-(2-methoxyphenoxy)pyrimidin-5-amine
SMILESCCOc1ccc(-c2ncnc(Oc3ccccc3OC)c2N)cc1
InChIInChI=1S/C19H19N3O3/c1-3-24-14-10-8-13(9-11-14)18-17(20)19(22-12-21-18)25-16-7-5-4-6-15(16)23-2/h4-12H,3,20H2,1-2H3
InChIKeyAWYKMEBUWHSCMA-UHFFFAOYSA-N
MW337.38 g/mol
LogP3.93
Rot. Bonds6

About 4-(4-ethoxyphenyl)-6-(2-methoxyphenoxy)pyrimidin-5-amine

4-(4-ethoxyphenyl)-6-(2-methoxyphenoxy)pyrimidin-5-amine (PubChem CID 90488473) has the molecular formula C19H19N3O3 and a molecular weight of 337.38 g/mol. Its IUPAC name is 4-(4-ethoxyphenyl)-6-(2-methoxyphenoxy)pyrimidin-5-amine.

Molecular Properties

Compound Name4-(4-ethoxyphenyl)-6-(2-methoxyphenoxy)pyrimidin-5-amine
PubChem CID90488473
Molecular FormulaC19H19N3O3
Molecular Weight337.38 g/mol
Exact Mass337.14
IUPAC Name4-(4-ethoxyphenyl)-6-(2-methoxyphenoxy)pyrimidin-5-amine
SMILESCCOc1ccc(-c2ncnc(Oc3ccccc3OC)c2N)cc1
InChIInChI=1S/C19H19N3O3/c1-3-24-14-10-8-13(9-11-14)18-17(20)19(22-12-21-18)25-16-7-5-4-6-15(16)23-2/h4-12H,3,20H2,1-2H3
InChIKeyAWYKMEBUWHSCMA-UHFFFAOYSA-N
XLogP3.93
TPSA79.49 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.38
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 4-(4-ethoxyphenyl)-6-(2-methoxyphenoxy)pyrimidin-5-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-(4-ethoxyphenyl)-6-(2-methoxyphenoxy)pyrimidin-5-amine?
The IUPAC name of 4-(4-ethoxyphenyl)-6-(2-methoxyphenoxy)pyrimidin-5-amine (CID 90488473) is 4-(4-ethoxyphenyl)-6-(2-methoxyphenoxy)pyrimidin-5-amine.
What is the SMILES notation for 4-(4-ethoxyphenyl)-6-(2-methoxyphenoxy)pyrimidin-5-amine?
The canonical SMILES for 4-(4-ethoxyphenyl)-6-(2-methoxyphenoxy)pyrimidin-5-amine is CCOc1ccc(-c2ncnc(Oc3ccccc3OC)c2N)cc1.
What is the InChIKey of 4-(4-ethoxyphenyl)-6-(2-methoxyphenoxy)pyrimidin-5-amine?
The InChIKey is AWYKMEBUWHSCMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O3/c1-3-24-14-10-8-13(9-11-14)18-17(20)19(22-12-21-18)25-16-7-5-4-6-15(16)23-2/h4-12H,3,20H2,1-2H3.
What are the key properties of 4-(4-ethoxyphenyl)-6-(2-methoxyphenoxy)pyrimidin-5-amine?
4-(4-ethoxyphenyl)-6-(2-methoxyphenoxy)pyrimidin-5-amine has a molecular weight of 337.38 g/mol, XLogP of 3.93, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-ethoxyphenyl)-6-(2-methoxyphenoxy)pyrimidin-5-amine is sourced from PubChem (CID 90488473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).