4-(4-ethylphenoxy)-6-methylpyrimidin-2-amine

C13H15N3O — CID 830665

IUPAC4-(4-ethylphenoxy)-6-methylpyrimidin-2-amine
SMILESCCc1ccc(Oc2cc(C)nc(N)n2)cc1
InChIInChI=1S/C13H15N3O/c1-3-10-4-6-11(7-5-10)17-12-8-9(2)15-13(14)16-12/h4-8H,3H2,1-2H3,(H2,14,15,16)
InChIKeyNSVUJDXSGNZKSL-UHFFFAOYSA-N
MW229.28 g/mol
LogP2.72
Rot. Bonds3

About 4-(4-ethylphenoxy)-6-methylpyrimidin-2-amine

4-(4-ethylphenoxy)-6-methylpyrimidin-2-amine (PubChem CID 830665) has the molecular formula C13H15N3O and a molecular weight of 229.28 g/mol. Its IUPAC name is 4-(4-ethylphenoxy)-6-methylpyrimidin-2-amine.

Molecular Properties

Compound Name4-(4-ethylphenoxy)-6-methylpyrimidin-2-amine
PubChem CID830665
Molecular FormulaC13H15N3O
Molecular Weight229.28 g/mol
Exact Mass229.12
IUPAC Name4-(4-ethylphenoxy)-6-methylpyrimidin-2-amine
SMILESCCc1ccc(Oc2cc(C)nc(N)n2)cc1
InChIInChI=1S/C13H15N3O/c1-3-10-4-6-11(7-5-10)17-12-8-9(2)15-13(14)16-12/h4-8H,3H2,1-2H3,(H2,14,15,16)
InChIKeyNSVUJDXSGNZKSL-UHFFFAOYSA-N
XLogP2.72
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.28
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-(4-ethylphenoxy)-6-methylpyrimidin-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-(4-ethylphenoxy)-6-methylpyrimidin-2-amine?
The IUPAC name of 4-(4-ethylphenoxy)-6-methylpyrimidin-2-amine (CID 830665) is 4-(4-ethylphenoxy)-6-methylpyrimidin-2-amine.
What is the SMILES notation for 4-(4-ethylphenoxy)-6-methylpyrimidin-2-amine?
The canonical SMILES for 4-(4-ethylphenoxy)-6-methylpyrimidin-2-amine is CCc1ccc(Oc2cc(C)nc(N)n2)cc1.
What is the InChIKey of 4-(4-ethylphenoxy)-6-methylpyrimidin-2-amine?
The InChIKey is NSVUJDXSGNZKSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O/c1-3-10-4-6-11(7-5-10)17-12-8-9(2)15-13(14)16-12/h4-8H,3H2,1-2H3,(H2,14,15,16).
What are the key properties of 4-(4-ethylphenoxy)-6-methylpyrimidin-2-amine?
4-(4-ethylphenoxy)-6-methylpyrimidin-2-amine has a molecular weight of 229.28 g/mol, XLogP of 2.72, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-ethylphenoxy)-6-methylpyrimidin-2-amine is sourced from PubChem (CID 830665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).