4-[6-(ethylamino)-5-methylpyrimidin-4-yl]oxybenzonitrile

C14H14N4O — CID 80869351

IUPAC4-[6-(ethylamino)-5-methylpyrimidin-4-yl]oxybenzonitrile
SMILESCCNc1ncnc(Oc2ccc(C#N)cc2)c1C
InChIInChI=1S/C14H14N4O/c1-3-16-13-10(2)14(18-9-17-13)19-12-6-4-11(8-15)5-7-12/h4-7,9H,3H2,1-2H3,(H,16,17,18)
InChIKeyIGFJOJVPVLZVPJ-UHFFFAOYSA-N
MW254.29 g/mol
LogP2.88
Rot. Bonds4

About 4-[6-(ethylamino)-5-methylpyrimidin-4-yl]oxybenzonitrile

4-[6-(ethylamino)-5-methylpyrimidin-4-yl]oxybenzonitrile (PubChem CID 80869351) has the molecular formula C14H14N4O and a molecular weight of 254.29 g/mol. Its IUPAC name is 4-[6-(ethylamino)-5-methylpyrimidin-4-yl]oxybenzonitrile.

Molecular Properties

Compound Name4-[6-(ethylamino)-5-methylpyrimidin-4-yl]oxybenzonitrile
PubChem CID80869351
Molecular FormulaC14H14N4O
Molecular Weight254.29 g/mol
Exact Mass254.12
IUPAC Name4-[6-(ethylamino)-5-methylpyrimidin-4-yl]oxybenzonitrile
SMILESCCNc1ncnc(Oc2ccc(C#N)cc2)c1C
InChIInChI=1S/C14H14N4O/c1-3-16-13-10(2)14(18-9-17-13)19-12-6-4-11(8-15)5-7-12/h4-7,9H,3H2,1-2H3,(H,16,17,18)
InChIKeyIGFJOJVPVLZVPJ-UHFFFAOYSA-N
XLogP2.88
TPSA70.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.29
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-ethyl-6-(4-methoxyphenoxy)-5-methylpyrimidin-4-amine
CID 80870042
6-(4-tert-butylphenoxy)-N-ethyl-5-methylpyrimidin-4-amine
CID 80865200
N-ethyl-6-(4-iodophenoxy)-5-methylpyrimidin-4-amine
CID 80881361
4-[6-(ethylamino)-2,5-dimethylpyrimidin-4-yl]oxybenzonitrile
CID 80869908
N-ethyl-5-methyl-6-(4-methylsulfanylphenoxy)pyrimidin-4-amine
CID 80879241
6-(4-butan-2-ylphenoxy)-N-ethyl-5-methylpyrimidin-4-amine
CID 107669579
6-(4-methoxyphenoxy)-5-methyl-N-propylpyrimidin-4-amine
CID 80869942
6-(3-tert-butylphenoxy)-N-ethyl-5-methylpyrimidin-4-amine
CID 80875364
6-(3-bromophenoxy)-N-ethyl-5-methylpyrimidin-4-amine
CID 80869818
2-[6-(ethylamino)-5-methylpyrimidin-4-yl]oxy-6-fluorobenzonitrile
CID 80875391
6-(4-bromophenoxy)-5-methyl-N-propylpyrimidin-4-amine
CID 80864667
6-(2,5-dimethylphenoxy)-N-ethyl-5-methylpyrimidin-4-amine
CID 80864233

Frequently Asked Questions

What is the IUPAC name of 4-[6-(ethylamino)-5-methylpyrimidin-4-yl]oxybenzonitrile?
The IUPAC name of 4-[6-(ethylamino)-5-methylpyrimidin-4-yl]oxybenzonitrile (CID 80869351) is 4-[6-(ethylamino)-5-methylpyrimidin-4-yl]oxybenzonitrile.
What is the SMILES notation for 4-[6-(ethylamino)-5-methylpyrimidin-4-yl]oxybenzonitrile?
The canonical SMILES for 4-[6-(ethylamino)-5-methylpyrimidin-4-yl]oxybenzonitrile is CCNc1ncnc(Oc2ccc(C#N)cc2)c1C.
What is the InChIKey of 4-[6-(ethylamino)-5-methylpyrimidin-4-yl]oxybenzonitrile?
The InChIKey is IGFJOJVPVLZVPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4O/c1-3-16-13-10(2)14(18-9-17-13)19-12-6-4-11(8-15)5-7-12/h4-7,9H,3H2,1-2H3,(H,16,17,18).
What are the key properties of 4-[6-(ethylamino)-5-methylpyrimidin-4-yl]oxybenzonitrile?
4-[6-(ethylamino)-5-methylpyrimidin-4-yl]oxybenzonitrile has a molecular weight of 254.29 g/mol, XLogP of 2.88, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-(ethylamino)-5-methylpyrimidin-4-yl]oxybenzonitrile is sourced from PubChem (CID 80869351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).