2-(4-cyanophenoxy)-6-phenylpyrimidine-4-carbonitrile

C18H10N4O — CID 3357498

IUPAC2-(4-cyanophenoxy)-6-phenylpyrimidine-4-carbonitrile
SMILESN#Cc1ccc(Oc2nc(C#N)cc(-c3ccccc3)n2)cc1
InChIInChI=1S/C18H10N4O/c19-11-13-6-8-16(9-7-13)23-18-21-15(12-20)10-17(22-18)14-4-2-1-3-5-14/h1-10H
InChIKeyNKEQCBMYVPEJDL-UHFFFAOYSA-N
MW298.31 g/mol
LogP3.68
Rot. Bonds3

About 2-(4-cyanophenoxy)-6-phenylpyrimidine-4-carbonitrile

2-(4-cyanophenoxy)-6-phenylpyrimidine-4-carbonitrile (PubChem CID 3357498) has the molecular formula C18H10N4O and a molecular weight of 298.31 g/mol. Its IUPAC name is 2-(4-cyanophenoxy)-6-phenylpyrimidine-4-carbonitrile.

Molecular Properties

Compound Name2-(4-cyanophenoxy)-6-phenylpyrimidine-4-carbonitrile
PubChem CID3357498
Molecular FormulaC18H10N4O
Molecular Weight298.31 g/mol
Exact Mass298.09
IUPAC Name2-(4-cyanophenoxy)-6-phenylpyrimidine-4-carbonitrile
SMILESN#Cc1ccc(Oc2nc(C#N)cc(-c3ccccc3)n2)cc1
InChIInChI=1S/C18H10N4O/c19-11-13-6-8-16(9-7-13)23-18-21-15(12-20)10-17(22-18)14-4-2-1-3-5-14/h1-10H
InChIKeyNKEQCBMYVPEJDL-UHFFFAOYSA-N
XLogP3.68
TPSA82.59 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.31
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

6-Ethyl-5-(4-methoxyphenyl)pyrimidine-2,4-diamine
CID 13926986
6-(4-Methoxyphenyl)pyrimidine-2,4-diamine
CID 2808121
3-{2-Methoxy-6-[2-(4-methoxy-phenyl)-ethylamino]-pyrimidin-4-yl}-benzonitrile
CID 11660493
N-(4,6-dimethylpyrimidin-2-yl)-N'-[2-(4-methoxyphenyl)ethyl]guanidine
CID 3013233
4-(4-Methoxyphenyl)-6-phenylpyrimidin-2-amine
CID 12293992
6-(5-Phenoxypentyl)-5-phenylpyrimidine-2,4-diamine;hydrochloride
CID 155532752
2-Hydrazinyl-6-(4-methoxyphenyl)pyrimidine-4-carbonitrile
CID 1414694
(4,6-Dimethyl-pyrimidin-2-yl)-(4-methoxy-benzyl)-cyanamide
CID 3152233
1-(4-Methoxyphenyl)ethanone (4-methyl-6-phenyl-2-pyrimidinyl)hydrazone
CID 5332849
4-{2-[(4-Methoxyphenyl)amino]pyrimidin-4-yl}benzonitrile
CID 24762004
4-(3,4-Dimethoxyphenyl)-2-methoxy-6-phenylpyrimidine
CID 629427
4-Chloro-6-(4-methoxyphenyl)-2-phenyl-5-pyrimidinecarbonitrile
CID 1480507

Frequently Asked Questions

What is the IUPAC name of 2-(4-cyanophenoxy)-6-phenylpyrimidine-4-carbonitrile?
The IUPAC name of 2-(4-cyanophenoxy)-6-phenylpyrimidine-4-carbonitrile (CID 3357498) is 2-(4-cyanophenoxy)-6-phenylpyrimidine-4-carbonitrile.
What is the SMILES notation for 2-(4-cyanophenoxy)-6-phenylpyrimidine-4-carbonitrile?
The canonical SMILES for 2-(4-cyanophenoxy)-6-phenylpyrimidine-4-carbonitrile is N#Cc1ccc(Oc2nc(C#N)cc(-c3ccccc3)n2)cc1.
What is the InChIKey of 2-(4-cyanophenoxy)-6-phenylpyrimidine-4-carbonitrile?
The InChIKey is NKEQCBMYVPEJDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H10N4O/c19-11-13-6-8-16(9-7-13)23-18-21-15(12-20)10-17(22-18)14-4-2-1-3-5-14/h1-10H.
What are the key properties of 2-(4-cyanophenoxy)-6-phenylpyrimidine-4-carbonitrile?
2-(4-cyanophenoxy)-6-phenylpyrimidine-4-carbonitrile has a molecular weight of 298.31 g/mol, XLogP of 3.68, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-cyanophenoxy)-6-phenylpyrimidine-4-carbonitrile is sourced from PubChem (CID 3357498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).