3-[2-(ethylamino)-6-methylpyrimidin-4-yl]oxybenzonitrile

C14H14N4O — CID 80863077

IUPAC3-[2-(ethylamino)-6-methylpyrimidin-4-yl]oxybenzonitrile
SMILESCCNc1nc(C)cc(Oc2cccc(C#N)c2)n1
InChIInChI=1S/C14H14N4O/c1-3-16-14-17-10(2)7-13(18-14)19-12-6-4-5-11(8-12)9-15/h4-8H,3H2,1-2H3,(H,16,17,18)
InChIKeyDBVBSGHIBJSEON-UHFFFAOYSA-N
MW254.29 g/mol
LogP2.88
Rot. Bonds4

About 3-[2-(ethylamino)-6-methylpyrimidin-4-yl]oxybenzonitrile

3-[2-(ethylamino)-6-methylpyrimidin-4-yl]oxybenzonitrile (PubChem CID 80863077) has the molecular formula C14H14N4O and a molecular weight of 254.29 g/mol. Its IUPAC name is 3-[2-(ethylamino)-6-methylpyrimidin-4-yl]oxybenzonitrile.

Molecular Properties

Compound Name3-[2-(ethylamino)-6-methylpyrimidin-4-yl]oxybenzonitrile
PubChem CID80863077
Molecular FormulaC14H14N4O
Molecular Weight254.29 g/mol
Exact Mass254.12
IUPAC Name3-[2-(ethylamino)-6-methylpyrimidin-4-yl]oxybenzonitrile
SMILESCCNc1nc(C)cc(Oc2cccc(C#N)c2)n1
InChIInChI=1S/C14H14N4O/c1-3-16-14-17-10(2)7-13(18-14)19-12-6-4-5-11(8-12)9-15/h4-8H,3H2,1-2H3,(H,16,17,18)
InChIKeyDBVBSGHIBJSEON-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-4-(3-methoxyphenoxy)-6-methylpyrimidin-2-amine
CID 80864633
N-ethyl-4-(3-fluorophenoxy)-6-methylpyrimidin-2-amine
CID 80869023
2-[4-[2-(ethylamino)-6-methylpyrimidin-4-yl]oxyphenyl]acetonitrile
CID 80864396
4-(3,5-dimethylphenoxy)-N-ethyl-6-methylpyrimidin-2-amine
CID 80864393
4-(3,5-dichlorophenoxy)-N-ethyl-6-methylpyrimidin-2-amine
CID 80874616
4-(2,6-dimethoxyphenoxy)-N-ethyl-6-methylpyrimidin-2-amine
CID 80865640
4-methyl-6-phenoxy-N-propylpyrimidin-2-amine
CID 80869700
3-[2-ethyl-6-(methylamino)pyrimidin-4-yl]oxybenzonitrile
CID 80941056
3-[4-[2-(ethylamino)-6-methylpyrimidin-4-yl]piperazin-1-yl]benzonitrile
CID 171327132
4-(3-ethoxyphenoxy)-N,6-dimethylpyrimidin-2-amine
CID 80873590
4-[3-(methoxymethyl)phenoxy]-6-methyl-N-propylpyrimidin-2-amine
CID 80880224
[4-(3-ethylphenoxy)-6-methylpyrimidin-2-yl]hydrazine
CID 80913357

Frequently Asked Questions

What is the IUPAC name of 3-[2-(ethylamino)-6-methylpyrimidin-4-yl]oxybenzonitrile?
The IUPAC name of 3-[2-(ethylamino)-6-methylpyrimidin-4-yl]oxybenzonitrile (CID 80863077) is 3-[2-(ethylamino)-6-methylpyrimidin-4-yl]oxybenzonitrile.
What is the SMILES notation for 3-[2-(ethylamino)-6-methylpyrimidin-4-yl]oxybenzonitrile?
The canonical SMILES for 3-[2-(ethylamino)-6-methylpyrimidin-4-yl]oxybenzonitrile is CCNc1nc(C)cc(Oc2cccc(C#N)c2)n1.
What is the InChIKey of 3-[2-(ethylamino)-6-methylpyrimidin-4-yl]oxybenzonitrile?
The InChIKey is DBVBSGHIBJSEON-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4O/c1-3-16-14-17-10(2)7-13(18-14)19-12-6-4-5-11(8-12)9-15/h4-8H,3H2,1-2H3,(H,16,17,18).
What are the key properties of 3-[2-(ethylamino)-6-methylpyrimidin-4-yl]oxybenzonitrile?
3-[2-(ethylamino)-6-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 3-[2-(ethylamino)-6-methylpyrimidin-4-yl]oxybenzonitrile is sourced from PubChem (CID 80863077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).