4-(2-ethoxyphenoxy)-N-ethylpyrimidin-2-amine

C14H17N3O2 — CID 80864811

IUPAC4-(2-ethoxyphenoxy)-N-ethylpyrimidin-2-amine
SMILESCCNc1nccc(Oc2ccccc2OCC)n1
InChIInChI=1S/C14H17N3O2/c1-3-15-14-16-10-9-13(17-14)19-12-8-6-5-7-11(12)18-4-2/h5-10H,3-4H2,1-2H3,(H,15,16,17)
InChIKeyIQXRWYNZQDUHKE-UHFFFAOYSA-N
MW259.31 g/mol
LogP3.10
Rot. Bonds6

About 4-(2-ethoxyphenoxy)-N-ethylpyrimidin-2-amine

4-(2-ethoxyphenoxy)-N-ethylpyrimidin-2-amine (PubChem CID 80864811) has the molecular formula C14H17N3O2 and a molecular weight of 259.31 g/mol. Its IUPAC name is 4-(2-ethoxyphenoxy)-N-ethylpyrimidin-2-amine.

Molecular Properties

Compound Name4-(2-ethoxyphenoxy)-N-ethylpyrimidin-2-amine
PubChem CID80864811
Molecular FormulaC14H17N3O2
Molecular Weight259.31 g/mol
Exact Mass259.13
IUPAC Name4-(2-ethoxyphenoxy)-N-ethylpyrimidin-2-amine
SMILESCCNc1nccc(Oc2ccccc2OCC)n1
InChIInChI=1S/C14H17N3O2/c1-3-15-14-16-10-9-13(17-14)19-12-8-6-5-7-11(12)18-4-2/h5-10H,3-4H2,1-2H3,(H,15,16,17)
InChIKeyIQXRWYNZQDUHKE-UHFFFAOYSA-N
XLogP3.10
TPSA56.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(2,3-difluorophenoxy)-N-ethylpyrimidin-2-amine
CID 80880330
N-ethyl-4-methoxypyrimidin-2-amine
CID 20510275
4-butoxy-N-ethylpyrimidin-2-amine
CID 80865329
4-(5-bromo-2-fluorophenoxy)-N-ethylpyrimidin-2-amine
CID 114677310
4-(2-methoxyphenoxy)-N-methylpyrimidin-2-amine
CID 80869209
4-(2-nitrophenoxy)-N-propylpyrimidin-2-amine
CID 80875415
N'-(4-ethoxypyrimidin-2-yl)-N-ethylpropane-1,3-diamine
CID 112638517
4-ethoxy-N-(pyridin-2-ylmethyl)pyrimidin-2-amine
CID 112636546
[4-(2-butan-2-ylphenoxy)pyrimidin-2-yl]hydrazine
CID 80916193
4-ethoxy-N-(2-phenylethyl)pyrimidin-2-amine
CID 112636504
4-(3-chloro-2-fluorophenoxy)-N-propylpyrimidin-2-amine
CID 116691319
N-ethyl-4-(2-propoxyphenyl)pyrimidin-2-amine
CID 104663175

Frequently Asked Questions

What is the IUPAC name of 4-(2-ethoxyphenoxy)-N-ethylpyrimidin-2-amine?
The IUPAC name of 4-(2-ethoxyphenoxy)-N-ethylpyrimidin-2-amine (CID 80864811) is 4-(2-ethoxyphenoxy)-N-ethylpyrimidin-2-amine.
What is the SMILES notation for 4-(2-ethoxyphenoxy)-N-ethylpyrimidin-2-amine?
The canonical SMILES for 4-(2-ethoxyphenoxy)-N-ethylpyrimidin-2-amine is CCNc1nccc(Oc2ccccc2OCC)n1.
What is the InChIKey of 4-(2-ethoxyphenoxy)-N-ethylpyrimidin-2-amine?
The InChIKey is IQXRWYNZQDUHKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O2/c1-3-15-14-16-10-9-13(17-14)19-12-8-6-5-7-11(12)18-4-2/h5-10H,3-4H2,1-2H3,(H,15,16,17).
What are the key properties of 4-(2-ethoxyphenoxy)-N-ethylpyrimidin-2-amine?
4-(2-ethoxyphenoxy)-N-ethylpyrimidin-2-amine has a molecular weight of 259.31 g/mol, XLogP of 3.10, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-ethoxyphenoxy)-N-ethylpyrimidin-2-amine is sourced from PubChem (CID 80864811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).