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

C19H15N7 — CID 118525753

IUPAC5,7-dimethyl-2-(2-phenylimidazo[1,2-a]pyrimidin-7-yl)-[1,2,4]triazolo[1,5-a]pyrimidine
SMILESCc1cc(C)n2nc(-c3ccn4cc(-c5ccccc5)nc4n3)nc2n1
InChIInChI=1S/C19H15N7/c1-12-10-13(2)26-19(20-12)23-17(24-26)15-8-9-25-11-16(22-18(25)21-15)14-6-4-3-5-7-14/h3-11H,1-2H3
InChIKeyNGJSCTGVOICSBG-UHFFFAOYSA-N
MW341.38 g/mol
LogP3.12
Rot. Bonds2

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

5,7-dimethyl-2-(2-phenylimidazo[1,2-a]pyrimidin-7-yl)-[1,2,4]triazolo[1,5-a]pyrimidine (PubChem CID 118525753) has the molecular formula C19H15N7 and a molecular weight of 341.38 g/mol. Its IUPAC name is 5,7-dimethyl-2-(2-phenylimidazo[1,2-a]pyrimidin-7-yl)-[1,2,4]triazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name5,7-dimethyl-2-(2-phenylimidazo[1,2-a]pyrimidin-7-yl)-[1,2,4]triazolo[1,5-a]pyrimidine
PubChem CID118525753
Molecular FormulaC19H15N7
Molecular Weight341.38 g/mol
Exact Mass341.14
IUPAC Name5,7-dimethyl-2-(2-phenylimidazo[1,2-a]pyrimidin-7-yl)-[1,2,4]triazolo[1,5-a]pyrimidine
SMILESCc1cc(C)n2nc(-c3ccn4cc(-c5ccccc5)nc4n3)nc2n1
InChIInChI=1S/C19H15N7/c1-12-10-13(2)26-19(20-12)23-17(24-26)15-8-9-25-11-16(22-18(25)21-15)14-6-4-3-5-7-14/h3-11H,1-2H3
InChIKeyNGJSCTGVOICSBG-UHFFFAOYSA-N
XLogP3.12
TPSA73.27 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.38
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5,7-dimethyl-2-(2-phenylimidazo[1,2-a]pyrimidin-7-yl)-[1,2,4]triazolo[1,5-a]pyrimidine?
The IUPAC name of 5,7-dimethyl-2-(2-phenylimidazo[1,2-a]pyrimidin-7-yl)-[1,2,4]triazolo[1,5-a]pyrimidine (CID 118525753) is 5,7-dimethyl-2-(2-phenylimidazo[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-phenylimidazo[1,2-a]pyrimidin-7-yl)-[1,2,4]triazolo[1,5-a]pyrimidine?
The canonical SMILES for 5,7-dimethyl-2-(2-phenylimidazo[1,2-a]pyrimidin-7-yl)-[1,2,4]triazolo[1,5-a]pyrimidine is Cc1cc(C)n2nc(-c3ccn4cc(-c5ccccc5)nc4n3)nc2n1.
What is the InChIKey of 5,7-dimethyl-2-(2-phenylimidazo[1,2-a]pyrimidin-7-yl)-[1,2,4]triazolo[1,5-a]pyrimidine?
The InChIKey is NGJSCTGVOICSBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15N7/c1-12-10-13(2)26-19(20-12)23-17(24-26)15-8-9-25-11-16(22-18(25)21-15)14-6-4-3-5-7-14/h3-11H,1-2H3.
What are the key properties of 5,7-dimethyl-2-(2-phenylimidazo[1,2-a]pyrimidin-7-yl)-[1,2,4]triazolo[1,5-a]pyrimidine?
5,7-dimethyl-2-(2-phenylimidazo[1,2-a]pyrimidin-7-yl)-[1,2,4]triazolo[1,5-a]pyrimidine has a molecular weight of 341.38 g/mol, XLogP of 3.12, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-dimethyl-2-(2-phenylimidazo[1,2-a]pyrimidin-7-yl)-[1,2,4]triazolo[1,5-a]pyrimidine is sourced from PubChem (CID 118525753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).