5,7-dimethyl-2-(2-pyridin-2-ylimidazo[1,2-a]pyrimidin-7-yl)-[1,2,4]triazolo[1,5-a]pyrimidine

C18H14N8 — CID 118525809

IUPAC5,7-dimethyl-2-(2-pyridin-2-ylimidazo[1,2-a]pyrimidin-7-yl)-[1,2,4]triazolo[1,5-a]pyrimidine
SMILESCc1cc(C)n2nc(-c3ccn4cc(-c5ccccn5)nc4n3)nc2n1
InChIInChI=1S/C18H14N8/c1-11-9-12(2)26-18(20-11)23-16(24-26)14-6-8-25-10-15(22-17(25)21-14)13-5-3-4-7-19-13/h3-10H,1-2H3
InChIKeyJCMHHZRQRKXDFQ-UHFFFAOYSA-N
MW342.37 g/mol
LogP2.51
Rot. Bonds2

About 5,7-dimethyl-2-(2-pyridin-2-ylimidazo[1,2-a]pyrimidin-7-yl)-[1,2,4]triazolo[1,5-a]pyrimidine

5,7-dimethyl-2-(2-pyridin-2-ylimidazo[1,2-a]pyrimidin-7-yl)-[1,2,4]triazolo[1,5-a]pyrimidine (PubChem CID 118525809) has the molecular formula C18H14N8 and a molecular weight of 342.37 g/mol. Its IUPAC name is 5,7-dimethyl-2-(2-pyridin-2-ylimidazo[1,2-a]pyrimidin-7-yl)-[1,2,4]triazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name5,7-dimethyl-2-(2-pyridin-2-ylimidazo[1,2-a]pyrimidin-7-yl)-[1,2,4]triazolo[1,5-a]pyrimidine
PubChem CID118525809
Molecular FormulaC18H14N8
Molecular Weight342.37 g/mol
Exact Mass342.13
IUPAC Name5,7-dimethyl-2-(2-pyridin-2-ylimidazo[1,2-a]pyrimidin-7-yl)-[1,2,4]triazolo[1,5-a]pyrimidine
SMILESCc1cc(C)n2nc(-c3ccn4cc(-c5ccccn5)nc4n3)nc2n1
InChIInChI=1S/C18H14N8/c1-11-9-12(2)26-18(20-11)23-16(24-26)14-6-8-25-10-15(22-17(25)21-14)13-5-3-4-7-19-13/h3-10H,1-2H3
InChIKeyJCMHHZRQRKXDFQ-UHFFFAOYSA-N
XLogP2.51
TPSA86.16 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.37
LogP ≤ 52.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 5,7-dimethyl-2-(2-pyridin-2-ylimidazo[1,2-a]pyrimidin-7-yl)-[1,2,4]triazolo[1,5-a]pyrimidine?
The IUPAC name of 5,7-dimethyl-2-(2-pyridin-2-ylimidazo[1,2-a]pyrimidin-7-yl)-[1,2,4]triazolo[1,5-a]pyrimidine (CID 118525809) is 5,7-dimethyl-2-(2-pyridin-2-ylimidazo[1,2-a]pyrimidin-7-yl)-[1,2,4]triazolo[1,5-a]pyrimidine.
What is the SMILES notation for 5,7-dimethyl-2-(2-pyridin-2-ylimidazo[1,2-a]pyrimidin-7-yl)-[1,2,4]triazolo[1,5-a]pyrimidine?
The canonical SMILES for 5,7-dimethyl-2-(2-pyridin-2-ylimidazo[1,2-a]pyrimidin-7-yl)-[1,2,4]triazolo[1,5-a]pyrimidine is Cc1cc(C)n2nc(-c3ccn4cc(-c5ccccn5)nc4n3)nc2n1.
What is the InChIKey of 5,7-dimethyl-2-(2-pyridin-2-ylimidazo[1,2-a]pyrimidin-7-yl)-[1,2,4]triazolo[1,5-a]pyrimidine?
The InChIKey is JCMHHZRQRKXDFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N8/c1-11-9-12(2)26-18(20-11)23-16(24-26)14-6-8-25-10-15(22-17(25)21-14)13-5-3-4-7-19-13/h3-10H,1-2H3.
What are the key properties of 5,7-dimethyl-2-(2-pyridin-2-ylimidazo[1,2-a]pyrimidin-7-yl)-[1,2,4]triazolo[1,5-a]pyrimidine?
5,7-dimethyl-2-(2-pyridin-2-ylimidazo[1,2-a]pyrimidin-7-yl)-[1,2,4]triazolo[1,5-a]pyrimidine has a molecular weight of 342.37 g/mol, XLogP of 2.51, 2 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-dimethyl-2-(2-pyridin-2-ylimidazo[1,2-a]pyrimidin-7-yl)-[1,2,4]triazolo[1,5-a]pyrimidine is sourced from PubChem (CID 118525809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).