2-(4-methylphenyl)imidazo[1,2-a]pyrimidine

C13H11N3 — CID 727295

IUPAC2-(4-methylphenyl)imidazo[1,2-a]pyrimidine
SMILESCc1ccc(-c2cn3cccnc3n2)cc1
InChIInChI=1S/C13H11N3/c1-10-3-5-11(6-4-10)12-9-16-8-2-7-14-13(16)15-12/h2-9H,1H3
InChIKeyFXPRTYODRQWLLM-UHFFFAOYSA-N
MW209.25 g/mol
LogP2.70
Rot. Bonds1

About 2-(4-methylphenyl)imidazo[1,2-a]pyrimidine

2-(4-methylphenyl)imidazo[1,2-a]pyrimidine (PubChem CID 727295) has the molecular formula C13H11N3 and a molecular weight of 209.25 g/mol. Its IUPAC name is 2-(4-methylphenyl)imidazo[1,2-a]pyrimidine.

Molecular Properties

Compound Name2-(4-methylphenyl)imidazo[1,2-a]pyrimidine
PubChem CID727295
Molecular FormulaC13H11N3
Molecular Weight209.25 g/mol
Exact Mass209.10
IUPAC Name2-(4-methylphenyl)imidazo[1,2-a]pyrimidine
SMILESCc1ccc(-c2cn3cccnc3n2)cc1
InChIInChI=1S/C13H11N3/c1-10-3-5-11(6-4-10)12-9-16-8-2-7-14-13(16)15-12/h2-9H,1H3
InChIKeyFXPRTYODRQWLLM-UHFFFAOYSA-N
XLogP2.70
TPSA30.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.25
LogP ≤ 52.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methylphenyl)imidazo[1,2-a]pyrimidine?
The IUPAC name of 2-(4-methylphenyl)imidazo[1,2-a]pyrimidine (CID 727295) is 2-(4-methylphenyl)imidazo[1,2-a]pyrimidine.
What is the SMILES notation for 2-(4-methylphenyl)imidazo[1,2-a]pyrimidine?
The canonical SMILES for 2-(4-methylphenyl)imidazo[1,2-a]pyrimidine is Cc1ccc(-c2cn3cccnc3n2)cc1.
What is the InChIKey of 2-(4-methylphenyl)imidazo[1,2-a]pyrimidine?
The InChIKey is FXPRTYODRQWLLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N3/c1-10-3-5-11(6-4-10)12-9-16-8-2-7-14-13(16)15-12/h2-9H,1H3.
What are the key properties of 2-(4-methylphenyl)imidazo[1,2-a]pyrimidine?
2-(4-methylphenyl)imidazo[1,2-a]pyrimidine has a molecular weight of 209.25 g/mol, XLogP of 2.70, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylphenyl)imidazo[1,2-a]pyrimidine is sourced from PubChem (CID 727295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).