4-(6-ethyl-2-pyridin-2-ylpyrimidin-4-yl)oxy-2-fluorobenzonitrile

C18H13FN4O — CID 133295415

IUPAC4-(6-ethyl-2-pyridin-2-ylpyrimidin-4-yl)oxy-2-fluorobenzonitrile
SMILESCCc1cc(Oc2ccc(C#N)c(F)c2)nc(-c2ccccn2)n1
InChIInChI=1S/C18H13FN4O/c1-2-13-9-17(23-18(22-13)16-5-3-4-8-21-16)24-14-7-6-12(11-20)15(19)10-14/h3-10H,2H2,1H3
InChIKeyWQXSTLKHNSVKNV-UHFFFAOYSA-N
MW320.33 g/mol
LogP3.90
Rot. Bonds4

About 4-(6-ethyl-2-pyridin-2-ylpyrimidin-4-yl)oxy-2-fluorobenzonitrile

4-(6-ethyl-2-pyridin-2-ylpyrimidin-4-yl)oxy-2-fluorobenzonitrile (PubChem CID 133295415) has the molecular formula C18H13FN4O and a molecular weight of 320.33 g/mol. Its IUPAC name is 4-(6-ethyl-2-pyridin-2-ylpyrimidin-4-yl)oxy-2-fluorobenzonitrile.

Molecular Properties

Compound Name4-(6-ethyl-2-pyridin-2-ylpyrimidin-4-yl)oxy-2-fluorobenzonitrile
PubChem CID133295415
Molecular FormulaC18H13FN4O
Molecular Weight320.33 g/mol
Exact Mass320.11
IUPAC Name4-(6-ethyl-2-pyridin-2-ylpyrimidin-4-yl)oxy-2-fluorobenzonitrile
SMILESCCc1cc(Oc2ccc(C#N)c(F)c2)nc(-c2ccccn2)n1
InChIInChI=1S/C18H13FN4O/c1-2-13-9-17(23-18(22-13)16-5-3-4-8-21-16)24-14-7-6-12(11-20)15(19)10-14/h3-10H,2H2,1H3
InChIKeyWQXSTLKHNSVKNV-UHFFFAOYSA-N
XLogP3.90
TPSA71.69 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.33
LogP ≤ 53.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 4-(6-ethyl-2-pyridin-2-ylpyrimidin-4-yl)oxy-2-fluorobenzonitrile 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

4-ethyl-6-(1-methylpyrazol-4-yl)oxy-2-pyridin-2-ylpyrimidine
CID 133487295
4-(6-chloro-2-ethylpyrimidin-4-yl)oxy-2-fluorobenzonitrile
CID 80944458
2-fluoro-4-[2-(propylamino)pyrimidin-4-yl]oxybenzonitrile
CID 80883299
2-fluoro-4-[[6-[(1R)-1-hydroxypropyl]-3-pyridinyl]oxy]benzonitrile
CID 103939277
6-ethyl-N-methyl-2-pyridin-2-ylpyrimidin-4-amine
CID 62191102
2-fluoro-4-[2-methyl-6-(methylamino)pyrimidin-4-yl]oxybenzonitrile
CID 80883406
2-fluoro-4-[2-[(1S)-1-hydroxypropyl]phenoxy]benzonitrile
CID 103960657
4-(6-amino-2-tert-butylpyrimidin-4-yl)oxy-2-fluorobenzonitrile
CID 80962880
3-[[(6-ethyl-2-pyridin-2-ylpyrimidin-4-yl)-methylamino]methyl]benzonitrile
CID 133290956
3-[1-(6-ethyl-2-pyridin-2-ylpyrimidin-4-yl)piperidin-4-yl]oxybenzonitrile
CID 133294715
4-[(2-cyanophenyl)methoxy]-2-fluorobenzonitrile
CID 78952814
2-fluoro-4-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]benzonitrile
CID 78952632

Frequently Asked Questions

What is the IUPAC name of 4-(6-ethyl-2-pyridin-2-ylpyrimidin-4-yl)oxy-2-fluorobenzonitrile?
The IUPAC name of 4-(6-ethyl-2-pyridin-2-ylpyrimidin-4-yl)oxy-2-fluorobenzonitrile (CID 133295415) is 4-(6-ethyl-2-pyridin-2-ylpyrimidin-4-yl)oxy-2-fluorobenzonitrile.
What is the SMILES notation for 4-(6-ethyl-2-pyridin-2-ylpyrimidin-4-yl)oxy-2-fluorobenzonitrile?
The canonical SMILES for 4-(6-ethyl-2-pyridin-2-ylpyrimidin-4-yl)oxy-2-fluorobenzonitrile is CCc1cc(Oc2ccc(C#N)c(F)c2)nc(-c2ccccn2)n1.
What is the InChIKey of 4-(6-ethyl-2-pyridin-2-ylpyrimidin-4-yl)oxy-2-fluorobenzonitrile?
The InChIKey is WQXSTLKHNSVKNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13FN4O/c1-2-13-9-17(23-18(22-13)16-5-3-4-8-21-16)24-14-7-6-12(11-20)15(19)10-14/h3-10H,2H2,1H3.
What are the key properties of 4-(6-ethyl-2-pyridin-2-ylpyrimidin-4-yl)oxy-2-fluorobenzonitrile?
4-(6-ethyl-2-pyridin-2-ylpyrimidin-4-yl)oxy-2-fluorobenzonitrile has a molecular weight of 320.33 g/mol, XLogP of 3.90, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-ethyl-2-pyridin-2-ylpyrimidin-4-yl)oxy-2-fluorobenzonitrile is sourced from PubChem (CID 133295415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).