2-(6-ethylpyrimidin-4-yl)oxy-6-methylaniline

C13H15N3O — CID 61240121

IUPAC2-(6-ethylpyrimidin-4-yl)oxy-6-methylaniline
SMILESCCc1cc(Oc2cccc(C)c2N)ncn1
InChIInChI=1S/C13H15N3O/c1-3-10-7-12(16-8-15-10)17-11-6-4-5-9(2)13(11)14/h4-8H,3,14H2,1-2H3
InChIKeyZRUYYYZFXDMZHS-UHFFFAOYSA-N
MW229.28 g/mol
LogP2.72
Rot. Bonds3

About 2-(6-ethylpyrimidin-4-yl)oxy-6-methylaniline

2-(6-ethylpyrimidin-4-yl)oxy-6-methylaniline (PubChem CID 61240121) has the molecular formula C13H15N3O and a molecular weight of 229.28 g/mol. Its IUPAC name is 2-(6-ethylpyrimidin-4-yl)oxy-6-methylaniline.

Molecular Properties

Compound Name2-(6-ethylpyrimidin-4-yl)oxy-6-methylaniline
PubChem CID61240121
Molecular FormulaC13H15N3O
Molecular Weight229.28 g/mol
Exact Mass229.12
IUPAC Name2-(6-ethylpyrimidin-4-yl)oxy-6-methylaniline
SMILESCCc1cc(Oc2cccc(C)c2N)ncn1
InChIInChI=1S/C13H15N3O/c1-3-10-7-12(16-8-15-10)17-11-6-4-5-9(2)13(11)14/h4-8H,3,14H2,1-2H3
InChIKeyZRUYYYZFXDMZHS-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

Computed Properties (RDKit)

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

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Related Compounds

2-(6-ethylpyrimidin-4-yl)oxy-5-methoxyaniline
CID 61239356
4-[6-(aminomethyl)pyrimidin-4-yl]oxy-3-methylaniline
CID 68537192
2-[6-(2-methylphenoxy)pyrimidin-4-yl]acetic acid
CID 116820289
2-methyl-3-(6-propylpyrimidin-4-yl)oxyphenol
CID 61241114
2-[2-(2-amino-3-methylphenoxy)ethoxy]-6-methylaniline
CID 153401307
4-(2,3-dimethylphenoxy)-6-methoxypyrimidine
CID 18736651
2-[6-(2-ethylphenoxy)pyrimidin-4-yl]acetic acid
CID 116820304
2-methyl-3-(6-methylpyrimidin-4-yl)oxyaniline
CID 61226507
2-methyl-6-trimethylsilyloxyaniline
CID 90457912
2-(2-fluorophenoxy)-6-methylaniline
CID 20513508
3-(6-ethylpyrimidin-4-yl)oxy-4-iodobenzoic acid
CID 114103670
5-bromo-2-(6-ethylpyrimidin-4-yl)oxybenzoic acid
CID 107730256

Frequently Asked Questions

What is the IUPAC name of 2-(6-ethylpyrimidin-4-yl)oxy-6-methylaniline?
The IUPAC name of 2-(6-ethylpyrimidin-4-yl)oxy-6-methylaniline (CID 61240121) is 2-(6-ethylpyrimidin-4-yl)oxy-6-methylaniline.
What is the SMILES notation for 2-(6-ethylpyrimidin-4-yl)oxy-6-methylaniline?
The canonical SMILES for 2-(6-ethylpyrimidin-4-yl)oxy-6-methylaniline is CCc1cc(Oc2cccc(C)c2N)ncn1.
What is the InChIKey of 2-(6-ethylpyrimidin-4-yl)oxy-6-methylaniline?
The InChIKey is ZRUYYYZFXDMZHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O/c1-3-10-7-12(16-8-15-10)17-11-6-4-5-9(2)13(11)14/h4-8H,3,14H2,1-2H3.
What are the key properties of 2-(6-ethylpyrimidin-4-yl)oxy-6-methylaniline?
2-(6-ethylpyrimidin-4-yl)oxy-6-methylaniline 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 2-(6-ethylpyrimidin-4-yl)oxy-6-methylaniline is sourced from PubChem (CID 61240121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).