2-(4-cyanophenoxy)pyrimidine-4-carbonitrile

C12H6N4O — CID 107545693

IUPAC2-(4-cyanophenoxy)pyrimidine-4-carbonitrile
SMILESN#Cc1ccc(Oc2nccc(C#N)n2)cc1
InChIInChI=1S/C12H6N4O/c13-7-9-1-3-11(4-2-9)17-12-15-6-5-10(8-14)16-12/h1-6H
InChIKeyHULFRVQDRHUCKV-UHFFFAOYSA-N
MW222.21 g/mol
LogP2.01
Rot. Bonds2

About 2-(4-cyanophenoxy)pyrimidine-4-carbonitrile

2-(4-cyanophenoxy)pyrimidine-4-carbonitrile (PubChem CID 107545693) has the molecular formula C12H6N4O and a molecular weight of 222.21 g/mol. Its IUPAC name is 2-(4-cyanophenoxy)pyrimidine-4-carbonitrile.

Molecular Properties

Compound Name2-(4-cyanophenoxy)pyrimidine-4-carbonitrile
PubChem CID107545693
Molecular FormulaC12H6N4O
Molecular Weight222.21 g/mol
Exact Mass222.05
IUPAC Name2-(4-cyanophenoxy)pyrimidine-4-carbonitrile
SMILESN#Cc1ccc(Oc2nccc(C#N)n2)cc1
InChIInChI=1S/C12H6N4O/c13-7-9-1-3-11(4-2-9)17-12-15-6-5-10(8-14)16-12/h1-6H
InChIKeyHULFRVQDRHUCKV-UHFFFAOYSA-N
XLogP2.01
TPSA82.59 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.21
LogP ≤ 52.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-cyano-2,6-dimethylphenoxy)pyrimidine-4-carbonitrile
CID 107545976
2-(4-bromo-3,5-dimethylphenoxy)pyrimidine-4-carbonitrile
CID 107723258
2-(4-amino-3-chlorophenoxy)pyrimidine-4-carbonitrile
CID 107552133
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
4-[2,6-bis(4-cyanophenoxy)pyrimidin-4-yl]oxybenzonitrile
CID 10717549
2-ethoxypyrimidine-4-carbonitrile
CID 107545589
2-(2-bromo-4-methoxyphenoxy)pyrimidine-4-carbonitrile
CID 107546049
2-naphthalen-1-yloxypyrimidine-4-carbonitrile
CID 107545702
2-prop-2-enoxypyrimidine-4-carbonitrile
CID 107545771
2-cycloheptyloxypyrimidine-4-carbonitrile
CID 107545864
4-[5-(4-methoxyphenyl)pyrimidin-2-yl]oxybenzonitrile
CID 4226629

Frequently Asked Questions

What is the IUPAC name of 2-(4-cyanophenoxy)pyrimidine-4-carbonitrile?
The IUPAC name of 2-(4-cyanophenoxy)pyrimidine-4-carbonitrile (CID 107545693) is 2-(4-cyanophenoxy)pyrimidine-4-carbonitrile.
What is the SMILES notation for 2-(4-cyanophenoxy)pyrimidine-4-carbonitrile?
The canonical SMILES for 2-(4-cyanophenoxy)pyrimidine-4-carbonitrile is N#Cc1ccc(Oc2nccc(C#N)n2)cc1.
What is the InChIKey of 2-(4-cyanophenoxy)pyrimidine-4-carbonitrile?
The InChIKey is HULFRVQDRHUCKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H6N4O/c13-7-9-1-3-11(4-2-9)17-12-15-6-5-10(8-14)16-12/h1-6H.
What are the key properties of 2-(4-cyanophenoxy)pyrimidine-4-carbonitrile?
2-(4-cyanophenoxy)pyrimidine-4-carbonitrile has a molecular weight of 222.21 g/mol, XLogP of 2.01, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-cyanophenoxy)pyrimidine-4-carbonitrile is sourced from PubChem (CID 107545693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).