2-(6-ethylpyrimidin-4-yl)oxy-5-methoxyaniline

C13H15N3O2 — CID 61239356

IUPAC2-(6-ethylpyrimidin-4-yl)oxy-5-methoxyaniline
SMILESCCc1cc(Oc2ccc(OC)cc2N)ncn1
InChIInChI=1S/C13H15N3O2/c1-3-9-6-13(16-8-15-9)18-12-5-4-10(17-2)7-11(12)14/h4-8H,3,14H2,1-2H3
InChIKeyYWAXFALJMONJTJ-UHFFFAOYSA-N
MW245.28 g/mol
LogP2.42
Rot. Bonds4

About 2-(6-ethylpyrimidin-4-yl)oxy-5-methoxyaniline

2-(6-ethylpyrimidin-4-yl)oxy-5-methoxyaniline (PubChem CID 61239356) has the molecular formula C13H15N3O2 and a molecular weight of 245.28 g/mol. Its IUPAC name is 2-(6-ethylpyrimidin-4-yl)oxy-5-methoxyaniline.

Molecular Properties

Compound Name2-(6-ethylpyrimidin-4-yl)oxy-5-methoxyaniline
PubChem CID61239356
Molecular FormulaC13H15N3O2
Molecular Weight245.28 g/mol
Exact Mass245.12
IUPAC Name2-(6-ethylpyrimidin-4-yl)oxy-5-methoxyaniline
SMILESCCc1cc(Oc2ccc(OC)cc2N)ncn1
InChIInChI=1S/C13H15N3O2/c1-3-9-6-13(16-8-15-9)18-12-5-4-10(17-2)7-11(12)14/h4-8H,3,14H2,1-2H3
InChIKeyYWAXFALJMONJTJ-UHFFFAOYSA-N
XLogP2.42
TPSA70.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.28
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(6-ethylpyrimidin-4-yl)oxy-5-methoxyaniline?
The IUPAC name of 2-(6-ethylpyrimidin-4-yl)oxy-5-methoxyaniline (CID 61239356) is 2-(6-ethylpyrimidin-4-yl)oxy-5-methoxyaniline.
What is the SMILES notation for 2-(6-ethylpyrimidin-4-yl)oxy-5-methoxyaniline?
The canonical SMILES for 2-(6-ethylpyrimidin-4-yl)oxy-5-methoxyaniline is CCc1cc(Oc2ccc(OC)cc2N)ncn1.
What is the InChIKey of 2-(6-ethylpyrimidin-4-yl)oxy-5-methoxyaniline?
The InChIKey is YWAXFALJMONJTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O2/c1-3-9-6-13(16-8-15-9)18-12-5-4-10(17-2)7-11(12)14/h4-8H,3,14H2,1-2H3.
What are the key properties of 2-(6-ethylpyrimidin-4-yl)oxy-5-methoxyaniline?
2-(6-ethylpyrimidin-4-yl)oxy-5-methoxyaniline has a molecular weight of 245.28 g/mol, XLogP of 2.42, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-ethylpyrimidin-4-yl)oxy-5-methoxyaniline is sourced from PubChem (CID 61239356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).