3-(5-amino-6-ethoxypyrimidin-4-yl)oxy-4-methylbenzonitrile

C14H14N4O2 — CID 107655267

IUPAC3-(5-amino-6-ethoxypyrimidin-4-yl)oxy-4-methylbenzonitrile
SMILESCCOc1ncnc(Oc2cc(C#N)ccc2C)c1N
InChIInChI=1S/C14H14N4O2/c1-3-19-13-12(16)14(18-8-17-13)20-11-6-10(7-15)5-4-9(11)2/h4-6,8H,3,16H2,1-2H3
InChIKeyGWYWTVSARPVTRR-UHFFFAOYSA-N
MW270.29 g/mol
LogP2.43
Rot. Bonds4

About 3-(5-amino-6-ethoxypyrimidin-4-yl)oxy-4-methylbenzonitrile

3-(5-amino-6-ethoxypyrimidin-4-yl)oxy-4-methylbenzonitrile (PubChem CID 107655267) has the molecular formula C14H14N4O2 and a molecular weight of 270.29 g/mol. Its IUPAC name is 3-(5-amino-6-ethoxypyrimidin-4-yl)oxy-4-methylbenzonitrile.

Molecular Properties

Compound Name3-(5-amino-6-ethoxypyrimidin-4-yl)oxy-4-methylbenzonitrile
PubChem CID107655267
Molecular FormulaC14H14N4O2
Molecular Weight270.29 g/mol
Exact Mass270.11
IUPAC Name3-(5-amino-6-ethoxypyrimidin-4-yl)oxy-4-methylbenzonitrile
SMILESCCOc1ncnc(Oc2cc(C#N)ccc2C)c1N
InChIInChI=1S/C14H14N4O2/c1-3-19-13-12(16)14(18-8-17-13)20-11-6-10(7-15)5-4-9(11)2/h4-6,8H,3,16H2,1-2H3
InChIKeyGWYWTVSARPVTRR-UHFFFAOYSA-N
XLogP2.43
TPSA94.05 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.29
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-(5-amino-6-ethoxypyrimidin-4-yl)oxy-5-methoxybenzonitrile
CID 103566343
3-(6-hydrazinyl-5-propylpyrimidin-4-yl)oxy-4-methylbenzonitrile
CID 107662865
3-(2-amino-3-propoxyphenoxy)-4-methylbenzonitrile
CID 107655206
4-methyl-3-pyrimidin-2-yloxybenzonitrile
CID 70098309
4-[(5-amino-6-ethoxypyrimidin-4-yl)amino]-3-chlorobenzonitrile
CID 107806981
3-(6-chloropyrimidin-4-yl)oxy-4-methylbenzonitrile
CID 107657769
3-(3-aminoquinoxalin-2-yl)oxy-4-methylbenzonitrile
CID 107662427
3-(2-hydrazinyl-5-methylpyrimidin-4-yl)oxy-4-methylbenzonitrile
CID 107662868
3-(6-amino-2-propylpyrimidin-4-yl)oxy-4-methylbenzonitrile
CID 107662566
3-aminooxy-4-methylbenzonitrile
CID 130500377
4-amino-3-(2,5-dimethylphenoxy)benzonitrile
CID 113444292
3-[4-(chloromethyl)phenoxy]-4-methylbenzonitrile
CID 107659195

Frequently Asked Questions

What is the IUPAC name of 3-(5-amino-6-ethoxypyrimidin-4-yl)oxy-4-methylbenzonitrile?
The IUPAC name of 3-(5-amino-6-ethoxypyrimidin-4-yl)oxy-4-methylbenzonitrile (CID 107655267) is 3-(5-amino-6-ethoxypyrimidin-4-yl)oxy-4-methylbenzonitrile.
What is the SMILES notation for 3-(5-amino-6-ethoxypyrimidin-4-yl)oxy-4-methylbenzonitrile?
The canonical SMILES for 3-(5-amino-6-ethoxypyrimidin-4-yl)oxy-4-methylbenzonitrile is CCOc1ncnc(Oc2cc(C#N)ccc2C)c1N.
What is the InChIKey of 3-(5-amino-6-ethoxypyrimidin-4-yl)oxy-4-methylbenzonitrile?
The InChIKey is GWYWTVSARPVTRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4O2/c1-3-19-13-12(16)14(18-8-17-13)20-11-6-10(7-15)5-4-9(11)2/h4-6,8H,3,16H2,1-2H3.
What are the key properties of 3-(5-amino-6-ethoxypyrimidin-4-yl)oxy-4-methylbenzonitrile?
3-(5-amino-6-ethoxypyrimidin-4-yl)oxy-4-methylbenzonitrile has a molecular weight of 270.29 g/mol, XLogP of 2.43, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-amino-6-ethoxypyrimidin-4-yl)oxy-4-methylbenzonitrile is sourced from PubChem (CID 107655267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).