4-[2-(5-oxo-7-pyrimidin-4-ylimidazo[1,2-a]pyrimidin-1-yl)ethyl]benzonitrile

C19H14N6O — CID 10149993

IUPAC4-[2-(5-oxo-7-pyrimidin-4-ylimidazo[1,2-a]pyrimidin-1-yl)ethyl]benzonitrile
SMILESN#Cc1ccc(CCn2ccn3c(=O)cc(-c4ccncn4)nc23)cc1
InChIInChI=1S/C19H14N6O/c20-12-15-3-1-14(2-4-15)6-8-24-9-10-25-18(26)11-17(23-19(24)25)16-5-7-21-13-22-16/h1-5,7,9-11,13H,6,8H2
InChIKeyMNGHRERXRRVKKK-UHFFFAOYSA-N
MW342.36 g/mol
LogP2.07
Rot. Bonds4

About 4-[2-(5-oxo-7-pyrimidin-4-ylimidazo[1,2-a]pyrimidin-1-yl)ethyl]benzonitrile

4-[2-(5-oxo-7-pyrimidin-4-ylimidazo[1,2-a]pyrimidin-1-yl)ethyl]benzonitrile (PubChem CID 10149993) has the molecular formula C19H14N6O and a molecular weight of 342.36 g/mol. Its IUPAC name is 4-[2-(5-oxo-7-pyrimidin-4-ylimidazo[1,2-a]pyrimidin-1-yl)ethyl]benzonitrile.

Molecular Properties

Compound Name4-[2-(5-oxo-7-pyrimidin-4-ylimidazo[1,2-a]pyrimidin-1-yl)ethyl]benzonitrile
PubChem CID10149993
Molecular FormulaC19H14N6O
Molecular Weight342.36 g/mol
Exact Mass342.12
IUPAC Name4-[2-(5-oxo-7-pyrimidin-4-ylimidazo[1,2-a]pyrimidin-1-yl)ethyl]benzonitrile
SMILESN#Cc1ccc(CCn2ccn3c(=O)cc(-c4ccncn4)nc23)cc1
InChIInChI=1S/C19H14N6O/c20-12-15-3-1-14(2-4-15)6-8-24-9-10-25-18(26)11-17(23-19(24)25)16-5-7-21-13-22-16/h1-5,7,9-11,13H,6,8H2
InChIKeyMNGHRERXRRVKKK-UHFFFAOYSA-N
XLogP2.07
TPSA88.87 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.36
LogP ≤ 52.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(5-oxo-7-pyrimidin-4-ylimidazo[1,2-a]pyrimidin-1-yl)ethyl]benzonitrile?
The IUPAC name of 4-[2-(5-oxo-7-pyrimidin-4-ylimidazo[1,2-a]pyrimidin-1-yl)ethyl]benzonitrile (CID 10149993) is 4-[2-(5-oxo-7-pyrimidin-4-ylimidazo[1,2-a]pyrimidin-1-yl)ethyl]benzonitrile.
What is the SMILES notation for 4-[2-(5-oxo-7-pyrimidin-4-ylimidazo[1,2-a]pyrimidin-1-yl)ethyl]benzonitrile?
The canonical SMILES for 4-[2-(5-oxo-7-pyrimidin-4-ylimidazo[1,2-a]pyrimidin-1-yl)ethyl]benzonitrile is N#Cc1ccc(CCn2ccn3c(=O)cc(-c4ccncn4)nc23)cc1.
What is the InChIKey of 4-[2-(5-oxo-7-pyrimidin-4-ylimidazo[1,2-a]pyrimidin-1-yl)ethyl]benzonitrile?
The InChIKey is MNGHRERXRRVKKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14N6O/c20-12-15-3-1-14(2-4-15)6-8-24-9-10-25-18(26)11-17(23-19(24)25)16-5-7-21-13-22-16/h1-5,7,9-11,13H,6,8H2.
What are the key properties of 4-[2-(5-oxo-7-pyrimidin-4-ylimidazo[1,2-a]pyrimidin-1-yl)ethyl]benzonitrile?
4-[2-(5-oxo-7-pyrimidin-4-ylimidazo[1,2-a]pyrimidin-1-yl)ethyl]benzonitrile has a molecular weight of 342.36 g/mol, XLogP of 2.07, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(5-oxo-7-pyrimidin-4-ylimidazo[1,2-a]pyrimidin-1-yl)ethyl]benzonitrile is sourced from PubChem (CID 10149993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).