4-(3-ethoxyphenoxy)-N,6-dimethylpyrimidin-2-amine

C14H17N3O2 — CID 80873590

IUPAC4-(3-ethoxyphenoxy)-N,6-dimethylpyrimidin-2-amine
SMILESCCOc1cccc(Oc2cc(C)nc(NC)n2)c1
InChIInChI=1S/C14H17N3O2/c1-4-18-11-6-5-7-12(9-11)19-13-8-10(2)16-14(15-3)17-13/h5-9H,4H2,1-3H3,(H,15,16,17)
InChIKeyBCFKAGCLJDXXMY-UHFFFAOYSA-N
MW259.31 g/mol
LogP3.02
Rot. Bonds5

About 4-(3-ethoxyphenoxy)-N,6-dimethylpyrimidin-2-amine

4-(3-ethoxyphenoxy)-N,6-dimethylpyrimidin-2-amine (PubChem CID 80873590) has the molecular formula C14H17N3O2 and a molecular weight of 259.31 g/mol. Its IUPAC name is 4-(3-ethoxyphenoxy)-N,6-dimethylpyrimidin-2-amine.

Molecular Properties

Compound Name4-(3-ethoxyphenoxy)-N,6-dimethylpyrimidin-2-amine
PubChem CID80873590
Molecular FormulaC14H17N3O2
Molecular Weight259.31 g/mol
Exact Mass259.13
IUPAC Name4-(3-ethoxyphenoxy)-N,6-dimethylpyrimidin-2-amine
SMILESCCOc1cccc(Oc2cc(C)nc(NC)n2)c1
InChIInChI=1S/C14H17N3O2/c1-4-18-11-6-5-7-12(9-11)19-13-8-10(2)16-14(15-3)17-13/h5-9H,4H2,1-3H3,(H,15,16,17)
InChIKeyBCFKAGCLJDXXMY-UHFFFAOYSA-N
XLogP3.02
TPSA56.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-(3-ethoxyphenoxy)-N,6-dimethylpyrimidin-2-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-(3-ethoxyphenoxy)-N,6-dimethylpyrimidin-2-amine?
The IUPAC name of 4-(3-ethoxyphenoxy)-N,6-dimethylpyrimidin-2-amine (CID 80873590) is 4-(3-ethoxyphenoxy)-N,6-dimethylpyrimidin-2-amine.
What is the SMILES notation for 4-(3-ethoxyphenoxy)-N,6-dimethylpyrimidin-2-amine?
The canonical SMILES for 4-(3-ethoxyphenoxy)-N,6-dimethylpyrimidin-2-amine is CCOc1cccc(Oc2cc(C)nc(NC)n2)c1.
What is the InChIKey of 4-(3-ethoxyphenoxy)-N,6-dimethylpyrimidin-2-amine?
The InChIKey is BCFKAGCLJDXXMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O2/c1-4-18-11-6-5-7-12(9-11)19-13-8-10(2)16-14(15-3)17-13/h5-9H,4H2,1-3H3,(H,15,16,17).
What are the key properties of 4-(3-ethoxyphenoxy)-N,6-dimethylpyrimidin-2-amine?
4-(3-ethoxyphenoxy)-N,6-dimethylpyrimidin-2-amine has a molecular weight of 259.31 g/mol, XLogP of 3.02, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-ethoxyphenoxy)-N,6-dimethylpyrimidin-2-amine is sourced from PubChem (CID 80873590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).