2-(4-ethyl-6-methoxypyrimidin-5-yl)acetonitrile

C9H11N3O — CID 84767323

IUPAC2-(4-ethyl-6-methoxypyrimidin-5-yl)acetonitrile
SMILESCCc1ncnc(OC)c1CC#N
InChIInChI=1S/C9H11N3O/c1-3-8-7(4-5-10)9(13-2)12-6-11-8/h6H,3-4H2,1-2H3
InChIKeyHGBMBIYKBJIRNY-UHFFFAOYSA-N
MW177.21 g/mol
LogP1.11
Rot. Bonds3

About 2-(4-ethyl-6-methoxypyrimidin-5-yl)acetonitrile

2-(4-ethyl-6-methoxypyrimidin-5-yl)acetonitrile (PubChem CID 84767323) has the molecular formula C9H11N3O and a molecular weight of 177.21 g/mol. Its IUPAC name is 2-(4-ethyl-6-methoxypyrimidin-5-yl)acetonitrile.

Molecular Properties

Compound Name2-(4-ethyl-6-methoxypyrimidin-5-yl)acetonitrile
PubChem CID84767323
Molecular FormulaC9H11N3O
Molecular Weight177.21 g/mol
Exact Mass177.09
IUPAC Name2-(4-ethyl-6-methoxypyrimidin-5-yl)acetonitrile
SMILESCCc1ncnc(OC)c1CC#N
InChIInChI=1S/C9H11N3O/c1-3-8-7(4-5-10)9(13-2)12-6-11-8/h6H,3-4H2,1-2H3
InChIKeyHGBMBIYKBJIRNY-UHFFFAOYSA-N
XLogP1.11
TPSA58.80 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.21
LogP ≤ 51.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4-ethyl-6-methoxypyrimidin-5-yl)acetonitrile?
The IUPAC name of 2-(4-ethyl-6-methoxypyrimidin-5-yl)acetonitrile (CID 84767323) is 2-(4-ethyl-6-methoxypyrimidin-5-yl)acetonitrile.
What is the SMILES notation for 2-(4-ethyl-6-methoxypyrimidin-5-yl)acetonitrile?
The canonical SMILES for 2-(4-ethyl-6-methoxypyrimidin-5-yl)acetonitrile is CCc1ncnc(OC)c1CC#N.
What is the InChIKey of 2-(4-ethyl-6-methoxypyrimidin-5-yl)acetonitrile?
The InChIKey is HGBMBIYKBJIRNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N3O/c1-3-8-7(4-5-10)9(13-2)12-6-11-8/h6H,3-4H2,1-2H3.
What are the key properties of 2-(4-ethyl-6-methoxypyrimidin-5-yl)acetonitrile?
2-(4-ethyl-6-methoxypyrimidin-5-yl)acetonitrile has a molecular weight of 177.21 g/mol, XLogP of 1.11, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethyl-6-methoxypyrimidin-5-yl)acetonitrile is sourced from PubChem (CID 84767323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).