2-(4-cyano-2,6-dimethylphenoxy)pyrimidine-4-carbonitrile

C14H10N4O — CID 107545976

IUPAC2-(4-cyano-2,6-dimethylphenoxy)pyrimidine-4-carbonitrile
SMILESCc1cc(C#N)cc(C)c1Oc1nccc(C#N)n1
InChIInChI=1S/C14H10N4O/c1-9-5-11(7-15)6-10(2)13(9)19-14-17-4-3-12(8-16)18-14/h3-6H,1-2H3
InChIKeyIANNSPHMSXZJFK-UHFFFAOYSA-N
MW250.26 g/mol
LogP2.63
Rot. Bonds2

About 2-(4-cyano-2,6-dimethylphenoxy)pyrimidine-4-carbonitrile

2-(4-cyano-2,6-dimethylphenoxy)pyrimidine-4-carbonitrile (PubChem CID 107545976) has the molecular formula C14H10N4O and a molecular weight of 250.26 g/mol. Its IUPAC name is 2-(4-cyano-2,6-dimethylphenoxy)pyrimidine-4-carbonitrile.

Molecular Properties

Compound Name2-(4-cyano-2,6-dimethylphenoxy)pyrimidine-4-carbonitrile
PubChem CID107545976
Molecular FormulaC14H10N4O
Molecular Weight250.26 g/mol
Exact Mass250.09
IUPAC Name2-(4-cyano-2,6-dimethylphenoxy)pyrimidine-4-carbonitrile
SMILESCc1cc(C#N)cc(C)c1Oc1nccc(C#N)n1
InChIInChI=1S/C14H10N4O/c1-9-5-11(7-15)6-10(2)13(9)19-14-17-4-3-12(8-16)18-14/h3-6H,1-2H3
InChIKeyIANNSPHMSXZJFK-UHFFFAOYSA-N
XLogP2.63
TPSA82.59 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.26
LogP ≤ 52.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-cyanophenoxy)pyrimidine-4-carbonitrile
CID 107545693
2-(4-bromo-3,5-dimethylphenoxy)pyrimidine-4-carbonitrile
CID 107723258
2-(2-methyl-5-propan-2-ylphenoxy)pyrimidine-4-carbonitrile
CID 107545835
2-(2,5-dimethylpyrazol-3-yl)oxypyrimidine-4-carbonitrile
CID 107546006
2-ethoxypyrimidine-4-carbonitrile
CID 107545589
2-(2-bromo-4-methoxyphenoxy)pyrimidine-4-carbonitrile
CID 107546049
2-(2,6-dichloro-4-nitrophenoxy)pyrimidine-4-carbonitrile
CID 107545900
2-(2,6-dibromo-4-nitrophenoxy)pyrimidine-4-carbonitrile
CID 107545902
2-naphthalen-1-yloxypyrimidine-4-carbonitrile
CID 107545702
2-cycloheptyloxypyrimidine-4-carbonitrile
CID 107545864
3,5-dimethyl-4-trimethylsilyloxybenzonitrile
CID 167714450
2-(4-amino-3-chlorophenoxy)pyrimidine-4-carbonitrile
CID 107552133

Frequently Asked Questions

What is the IUPAC name of 2-(4-cyano-2,6-dimethylphenoxy)pyrimidine-4-carbonitrile?
The IUPAC name of 2-(4-cyano-2,6-dimethylphenoxy)pyrimidine-4-carbonitrile (CID 107545976) is 2-(4-cyano-2,6-dimethylphenoxy)pyrimidine-4-carbonitrile.
What is the SMILES notation for 2-(4-cyano-2,6-dimethylphenoxy)pyrimidine-4-carbonitrile?
The canonical SMILES for 2-(4-cyano-2,6-dimethylphenoxy)pyrimidine-4-carbonitrile is Cc1cc(C#N)cc(C)c1Oc1nccc(C#N)n1.
What is the InChIKey of 2-(4-cyano-2,6-dimethylphenoxy)pyrimidine-4-carbonitrile?
The InChIKey is IANNSPHMSXZJFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10N4O/c1-9-5-11(7-15)6-10(2)13(9)19-14-17-4-3-12(8-16)18-14/h3-6H,1-2H3.
What are the key properties of 2-(4-cyano-2,6-dimethylphenoxy)pyrimidine-4-carbonitrile?
2-(4-cyano-2,6-dimethylphenoxy)pyrimidine-4-carbonitrile has a molecular weight of 250.26 g/mol, XLogP of 2.63, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-cyano-2,6-dimethylphenoxy)pyrimidine-4-carbonitrile is sourced from PubChem (CID 107545976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).