3-(4,6-dimethylpyrimidin-2-yl)imidazo[1,2-a]pyridine-6-carbonitrile

C14H11N5 — CID 167775457

IUPAC3-(4,6-dimethylpyrimidin-2-yl)imidazo[1,2-a]pyridine-6-carbonitrile
SMILESCc1cc(C)nc(-c2cnc3ccc(C#N)cn23)n1
InChIInChI=1S/C14H11N5/c1-9-5-10(2)18-14(17-9)12-7-16-13-4-3-11(6-15)8-19(12)13/h3-5,7-8H,1-2H3
InChIKeyDXAGDYCMLRGHRW-UHFFFAOYSA-N
MW249.28 g/mol
LogP2.28
Rot. Bonds1

About 3-(4,6-dimethylpyrimidin-2-yl)imidazo[1,2-a]pyridine-6-carbonitrile

3-(4,6-dimethylpyrimidin-2-yl)imidazo[1,2-a]pyridine-6-carbonitrile (PubChem CID 167775457) has the molecular formula C14H11N5 and a molecular weight of 249.28 g/mol. Its IUPAC name is 3-(4,6-dimethylpyrimidin-2-yl)imidazo[1,2-a]pyridine-6-carbonitrile.

Molecular Properties

Compound Name3-(4,6-dimethylpyrimidin-2-yl)imidazo[1,2-a]pyridine-6-carbonitrile
PubChem CID167775457
Molecular FormulaC14H11N5
Molecular Weight249.28 g/mol
Exact Mass249.10
IUPAC Name3-(4,6-dimethylpyrimidin-2-yl)imidazo[1,2-a]pyridine-6-carbonitrile
SMILESCc1cc(C)nc(-c2cnc3ccc(C#N)cn23)n1
InChIInChI=1S/C14H11N5/c1-9-5-10(2)18-14(17-9)12-7-16-13-4-3-11(6-15)8-19(12)13/h3-5,7-8H,1-2H3
InChIKeyDXAGDYCMLRGHRW-UHFFFAOYSA-N
XLogP2.28
TPSA66.87 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.28
LogP ≤ 52.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(4,6-dimethylpyrimidin-2-yl)imidazo[1,2-a]pyridine-6-carbonitrile?
The IUPAC name of 3-(4,6-dimethylpyrimidin-2-yl)imidazo[1,2-a]pyridine-6-carbonitrile (CID 167775457) is 3-(4,6-dimethylpyrimidin-2-yl)imidazo[1,2-a]pyridine-6-carbonitrile.
What is the SMILES notation for 3-(4,6-dimethylpyrimidin-2-yl)imidazo[1,2-a]pyridine-6-carbonitrile?
The canonical SMILES for 3-(4,6-dimethylpyrimidin-2-yl)imidazo[1,2-a]pyridine-6-carbonitrile is Cc1cc(C)nc(-c2cnc3ccc(C#N)cn23)n1.
What is the InChIKey of 3-(4,6-dimethylpyrimidin-2-yl)imidazo[1,2-a]pyridine-6-carbonitrile?
The InChIKey is DXAGDYCMLRGHRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11N5/c1-9-5-10(2)18-14(17-9)12-7-16-13-4-3-11(6-15)8-19(12)13/h3-5,7-8H,1-2H3.
What are the key properties of 3-(4,6-dimethylpyrimidin-2-yl)imidazo[1,2-a]pyridine-6-carbonitrile?
3-(4,6-dimethylpyrimidin-2-yl)imidazo[1,2-a]pyridine-6-carbonitrile has a molecular weight of 249.28 g/mol, XLogP of 2.28, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4,6-dimethylpyrimidin-2-yl)imidazo[1,2-a]pyridine-6-carbonitrile is sourced from PubChem (CID 167775457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).