4-[2,6-bis(4-cyanophenoxy)pyrimidin-4-yl]oxybenzonitrile

C25H13N5O3 — CID 10717549

IUPAC4-[2,6-bis(4-cyanophenoxy)pyrimidin-4-yl]oxybenzonitrile
SMILESN#Cc1ccc(Oc2cc(Oc3ccc(C#N)cc3)nc(Oc3ccc(C#N)cc3)n2)cc1
InChIInChI=1S/C25H13N5O3/c26-14-17-1-7-20(8-2-17)31-23-13-24(32-21-9-3-18(15-27)4-10-21)30-25(29-23)33-22-11-5-19(16-28)6-12-22/h1-13H
InChIKeyHWRAEMQFSLOVQA-UHFFFAOYSA-N
MW431.41 g/mol
LogP5.47
Rot. Bonds6

About 4-[2,6-bis(4-cyanophenoxy)pyrimidin-4-yl]oxybenzonitrile

4-[2,6-bis(4-cyanophenoxy)pyrimidin-4-yl]oxybenzonitrile (PubChem CID 10717549) has the molecular formula C25H13N5O3 and a molecular weight of 431.41 g/mol. Its IUPAC name is 4-[2,6-bis(4-cyanophenoxy)pyrimidin-4-yl]oxybenzonitrile.

Molecular Properties

Compound Name4-[2,6-bis(4-cyanophenoxy)pyrimidin-4-yl]oxybenzonitrile
PubChem CID10717549
Molecular FormulaC25H13N5O3
Molecular Weight431.41 g/mol
Exact Mass431.10
IUPAC Name4-[2,6-bis(4-cyanophenoxy)pyrimidin-4-yl]oxybenzonitrile
SMILESN#Cc1ccc(Oc2cc(Oc3ccc(C#N)cc3)nc(Oc3ccc(C#N)cc3)n2)cc1
InChIInChI=1S/C25H13N5O3/c26-14-17-1-7-20(8-2-17)31-23-13-24(32-21-9-3-18(15-27)4-10-21)30-25(29-23)33-22-11-5-19(16-28)6-12-22/h1-13H
InChIKeyHWRAEMQFSLOVQA-UHFFFAOYSA-N
XLogP5.47
TPSA124.84 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500431.41
LogP ≤ 55.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 4-[2,6-bis(4-cyanophenoxy)pyrimidin-4-yl]oxybenzonitrile 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-[(4,6-dichloro-1,3,5-triazin-2-yl)oxy]benzonitrile
CID 58974961
4-[(4,6-diphenoxy-1,3,5-triazin-2-yl)oxy]benzonitrile
CID 162501099
2-(4-cyanophenoxy)pyrimidine-4-carbonitrile
CID 107545693
4-[(4-amino-6-methoxy-1,3,5-triazin-2-yl)oxy]benzonitrile
CID 80869270
4-[(6-fluoro-2-pyridinyl)oxy]benzonitrile
CID 61227794
4-[(4-chloro-6-propan-2-yloxy-1,3,5-triazin-2-yl)oxy]benzonitrile
CID 62868776
4-(6-methylpyridazin-3-yl)oxybenzonitrile
CID 176899831
4-(2-ethyl-6-hydrazinylpyrimidin-4-yl)oxybenzonitrile
CID 80939564
4-[4-propan-2-yl-6-(trifluoromethyl)pyrimidin-2-yl]oxybenzonitrile
CID 130395978
4-[5-(4-methoxyphenyl)pyrimidin-2-yl]oxybenzonitrile
CID 4226629
4-[6-(ethylamino)-2-propylpyrimidin-4-yl]oxybenzonitrile
CID 80944234
4-methoxy(13C)benzonitrile
CID 175991125

Frequently Asked Questions

What is the IUPAC name of 4-[2,6-bis(4-cyanophenoxy)pyrimidin-4-yl]oxybenzonitrile?
The IUPAC name of 4-[2,6-bis(4-cyanophenoxy)pyrimidin-4-yl]oxybenzonitrile (CID 10717549) is 4-[2,6-bis(4-cyanophenoxy)pyrimidin-4-yl]oxybenzonitrile.
What is the SMILES notation for 4-[2,6-bis(4-cyanophenoxy)pyrimidin-4-yl]oxybenzonitrile?
The canonical SMILES for 4-[2,6-bis(4-cyanophenoxy)pyrimidin-4-yl]oxybenzonitrile is N#Cc1ccc(Oc2cc(Oc3ccc(C#N)cc3)nc(Oc3ccc(C#N)cc3)n2)cc1.
What is the InChIKey of 4-[2,6-bis(4-cyanophenoxy)pyrimidin-4-yl]oxybenzonitrile?
The InChIKey is HWRAEMQFSLOVQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H13N5O3/c26-14-17-1-7-20(8-2-17)31-23-13-24(32-21-9-3-18(15-27)4-10-21)30-25(29-23)33-22-11-5-19(16-28)6-12-22/h1-13H.
What are the key properties of 4-[2,6-bis(4-cyanophenoxy)pyrimidin-4-yl]oxybenzonitrile?
4-[2,6-bis(4-cyanophenoxy)pyrimidin-4-yl]oxybenzonitrile has a molecular weight of 431.41 g/mol, XLogP of 5.47, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2,6-bis(4-cyanophenoxy)pyrimidin-4-yl]oxybenzonitrile is sourced from PubChem (CID 10717549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).