3-(6-chloro-5-ethylpyrimidin-4-yl)oxy-5-methoxybenzonitrile

C14H12ClN3O2 — CID 103566732

IUPAC3-(6-chloro-5-ethylpyrimidin-4-yl)oxy-5-methoxybenzonitrile
SMILESCCc1c(Cl)ncnc1Oc1cc(C#N)cc(OC)c1
InChIInChI=1S/C14H12ClN3O2/c1-3-12-13(15)17-8-18-14(12)20-11-5-9(7-16)4-10(6-11)19-2/h4-6,8H,3H2,1-2H3
InChIKeyWMLTZBFOOIEQHE-UHFFFAOYSA-N
MW289.72 g/mol
LogP3.36
Rot. Bonds4

About 3-(6-chloro-5-ethylpyrimidin-4-yl)oxy-5-methoxybenzonitrile

3-(6-chloro-5-ethylpyrimidin-4-yl)oxy-5-methoxybenzonitrile (PubChem CID 103566732) has the molecular formula C14H12ClN3O2 and a molecular weight of 289.72 g/mol. Its IUPAC name is 3-(6-chloro-5-ethylpyrimidin-4-yl)oxy-5-methoxybenzonitrile.

Molecular Properties

Compound Name3-(6-chloro-5-ethylpyrimidin-4-yl)oxy-5-methoxybenzonitrile
PubChem CID103566732
Molecular FormulaC14H12ClN3O2
Molecular Weight289.72 g/mol
Exact Mass289.06
IUPAC Name3-(6-chloro-5-ethylpyrimidin-4-yl)oxy-5-methoxybenzonitrile
SMILESCCc1c(Cl)ncnc1Oc1cc(C#N)cc(OC)c1
InChIInChI=1S/C14H12ClN3O2/c1-3-12-13(15)17-8-18-14(12)20-11-5-9(7-16)4-10(6-11)19-2/h4-6,8H,3H2,1-2H3
InChIKeyWMLTZBFOOIEQHE-UHFFFAOYSA-N
XLogP3.36
TPSA68.03 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.72
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 3-(6-chloro-5-ethylpyrimidin-4-yl)oxy-5-methoxybenzonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[6-chloro-5-(chloromethyl)pyrimidin-4-yl]oxy-5-methoxybenzonitrile
CID 107089459
4-chloro-5-ethyl-6-(4-methoxyphenoxy)pyrimidine
CID 55228710
3-(5-amino-6-ethoxypyrimidin-4-yl)oxy-5-methoxybenzonitrile
CID 103566343
3-methoxy-5-[(3,5,6-trichloro-2-pyridinyl)oxy]benzonitrile
CID 103566717
4-(6-chloro-5-ethylpyrimidin-4-yl)oxy-3-nitrobenzonitrile
CID 63736434
4-(4-tert-butylphenoxy)-6-chloro-5-ethylpyrimidine
CID 63734002
4-chloro-6-(3-chloro-4-fluorophenoxy)-5-ethylpyrimidine
CID 63878128
4-chloro-5-ethyl-6-(4-propylphenoxy)pyrimidine
CID 55228714
6-chloro-N-(3,5-dimethoxyphenyl)-5-ethylpyrimidin-4-amine
CID 63735080
4-(6-chloro-5-propylpyrimidin-4-yl)oxy-3-fluorobenzonitrile
CID 107664674
4-(4-butan-2-ylphenoxy)-6-chloro-5-ethylpyrimidine
CID 107664579
4-[(6-chloro-5-ethylpyrimidin-4-yl)amino]-3-methoxybenzonitrile
CID 104849787

Frequently Asked Questions

What is the IUPAC name of 3-(6-chloro-5-ethylpyrimidin-4-yl)oxy-5-methoxybenzonitrile?
The IUPAC name of 3-(6-chloro-5-ethylpyrimidin-4-yl)oxy-5-methoxybenzonitrile (CID 103566732) is 3-(6-chloro-5-ethylpyrimidin-4-yl)oxy-5-methoxybenzonitrile.
What is the SMILES notation for 3-(6-chloro-5-ethylpyrimidin-4-yl)oxy-5-methoxybenzonitrile?
The canonical SMILES for 3-(6-chloro-5-ethylpyrimidin-4-yl)oxy-5-methoxybenzonitrile is CCc1c(Cl)ncnc1Oc1cc(C#N)cc(OC)c1.
What is the InChIKey of 3-(6-chloro-5-ethylpyrimidin-4-yl)oxy-5-methoxybenzonitrile?
The InChIKey is WMLTZBFOOIEQHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClN3O2/c1-3-12-13(15)17-8-18-14(12)20-11-5-9(7-16)4-10(6-11)19-2/h4-6,8H,3H2,1-2H3.
What are the key properties of 3-(6-chloro-5-ethylpyrimidin-4-yl)oxy-5-methoxybenzonitrile?
3-(6-chloro-5-ethylpyrimidin-4-yl)oxy-5-methoxybenzonitrile has a molecular weight of 289.72 g/mol, XLogP of 3.36, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-chloro-5-ethylpyrimidin-4-yl)oxy-5-methoxybenzonitrile is sourced from PubChem (CID 103566732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).