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

C14H14N4O3 — CID 103566343

IUPAC3-(5-amino-6-ethoxypyrimidin-4-yl)oxy-5-methoxybenzonitrile
SMILESCCOc1ncnc(Oc2cc(C#N)cc(OC)c2)c1N
InChIInChI=1S/C14H14N4O3/c1-3-20-13-12(16)14(18-8-17-13)21-11-5-9(7-15)4-10(6-11)19-2/h4-6,8H,3,16H2,1-2H3
InChIKeyONONELICDMXLKX-UHFFFAOYSA-N
MW286.29 g/mol
LogP2.13
Rot. Bonds5

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

3-(5-amino-6-ethoxypyrimidin-4-yl)oxy-5-methoxybenzonitrile (PubChem CID 103566343) has the molecular formula C14H14N4O3 and a molecular weight of 286.29 g/mol. Its IUPAC name is 3-(5-amino-6-ethoxypyrimidin-4-yl)oxy-5-methoxybenzonitrile.

Molecular Properties

Compound Name3-(5-amino-6-ethoxypyrimidin-4-yl)oxy-5-methoxybenzonitrile
PubChem CID103566343
Molecular FormulaC14H14N4O3
Molecular Weight286.29 g/mol
Exact Mass286.11
IUPAC Name3-(5-amino-6-ethoxypyrimidin-4-yl)oxy-5-methoxybenzonitrile
SMILESCCOc1ncnc(Oc2cc(C#N)cc(OC)c2)c1N
InChIInChI=1S/C14H14N4O3/c1-3-20-13-12(16)14(18-8-17-13)21-11-5-9(7-15)4-10(6-11)19-2/h4-6,8H,3,16H2,1-2H3
InChIKeyONONELICDMXLKX-UHFFFAOYSA-N
XLogP2.13
TPSA103.28 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.29
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

3-(5-amino-6-ethoxypyrimidin-4-yl)oxy-4-methylbenzonitrile
CID 107655267
3-(6-chloro-5-ethylpyrimidin-4-yl)oxy-5-methoxybenzonitrile
CID 103566732
3-(2-amino-3-ethoxyphenoxy)-5-methoxybenzonitrile
CID 103566387
3-[6-chloro-5-(chloromethyl)pyrimidin-4-yl]oxy-5-methoxybenzonitrile
CID 107089459
3-(3-amino-5-methoxyphenoxy)-5-methoxybenzonitrile
CID 103566372
3-[(3-amino-5-bromo-2-pyridinyl)oxy]-5-methoxybenzonitrile
CID 103566354
4-ethoxy-6-naphthalen-2-yloxypyrimidin-5-amine
CID 22543733
4-(3-bromo-4-fluorophenoxy)-6-ethoxypyrimidin-5-amine
CID 83232697
5-amino-2-(3,5-dimethoxyphenoxy)pyridine-3-carbonitrile
CID 60923806
4-(3,5-dimethylphenoxy)-6-(4-methoxyphenoxy)pyrimidin-5-amine
CID 22540861
4-(4-ethylphenoxy)-6-(4-methoxyphenoxy)pyrimidin-5-amine
CID 19154279
2-[4-(5-amino-6-ethoxypyrimidin-4-yl)oxyphenyl]ethanol
CID 107708420

Frequently Asked Questions

What is the IUPAC name of 3-(5-amino-6-ethoxypyrimidin-4-yl)oxy-5-methoxybenzonitrile?
The IUPAC name of 3-(5-amino-6-ethoxypyrimidin-4-yl)oxy-5-methoxybenzonitrile (CID 103566343) is 3-(5-amino-6-ethoxypyrimidin-4-yl)oxy-5-methoxybenzonitrile.
What is the SMILES notation for 3-(5-amino-6-ethoxypyrimidin-4-yl)oxy-5-methoxybenzonitrile?
The canonical SMILES for 3-(5-amino-6-ethoxypyrimidin-4-yl)oxy-5-methoxybenzonitrile is CCOc1ncnc(Oc2cc(C#N)cc(OC)c2)c1N.
What is the InChIKey of 3-(5-amino-6-ethoxypyrimidin-4-yl)oxy-5-methoxybenzonitrile?
The InChIKey is ONONELICDMXLKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4O3/c1-3-20-13-12(16)14(18-8-17-13)21-11-5-9(7-15)4-10(6-11)19-2/h4-6,8H,3,16H2,1-2H3.
What are the key properties of 3-(5-amino-6-ethoxypyrimidin-4-yl)oxy-5-methoxybenzonitrile?
3-(5-amino-6-ethoxypyrimidin-4-yl)oxy-5-methoxybenzonitrile has a molecular weight of 286.29 g/mol, XLogP of 2.13, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-amino-6-ethoxypyrimidin-4-yl)oxy-5-methoxybenzonitrile is sourced from PubChem (CID 103566343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).