3-phenylimidazo[1,2-a]pyrimidine

C12H9N3 — CID 18001312

IUPAC3-phenylimidazo[1,2-a]pyrimidine
SMILESc1ccc(-c2cnc3ncccn23)cc1
InChIInChI=1S/C12H9N3/c1-2-5-10(6-3-1)11-9-14-12-13-7-4-8-15(11)12/h1-9H
InChIKeyXKTONDZDILVOOL-UHFFFAOYSA-N
MW195.22 g/mol
LogP2.40
Rot. Bonds1

About 3-phenylimidazo[1,2-a]pyrimidine

3-phenylimidazo[1,2-a]pyrimidine (PubChem CID 18001312) has the molecular formula C12H9N3 and a molecular weight of 195.22 g/mol. Its IUPAC name is 3-phenylimidazo[1,2-a]pyrimidine.

Molecular Properties

Compound Name3-phenylimidazo[1,2-a]pyrimidine
PubChem CID18001312
Molecular FormulaC12H9N3
Molecular Weight195.22 g/mol
Exact Mass195.08
IUPAC Name3-phenylimidazo[1,2-a]pyrimidine
SMILESc1ccc(-c2cnc3ncccn23)cc1
InChIInChI=1S/C12H9N3/c1-2-5-10(6-3-1)11-9-14-12-13-7-4-8-15(11)12/h1-9H
InChIKeyXKTONDZDILVOOL-UHFFFAOYSA-N
XLogP2.40
TPSA30.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.22
LogP ≤ 52.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-phenylimidazo[1,2-a]pyrimidine?
The IUPAC name of 3-phenylimidazo[1,2-a]pyrimidine (CID 18001312) is 3-phenylimidazo[1,2-a]pyrimidine.
What is the SMILES notation for 3-phenylimidazo[1,2-a]pyrimidine?
The canonical SMILES for 3-phenylimidazo[1,2-a]pyrimidine is c1ccc(-c2cnc3ncccn23)cc1.
What is the InChIKey of 3-phenylimidazo[1,2-a]pyrimidine?
The InChIKey is XKTONDZDILVOOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9N3/c1-2-5-10(6-3-1)11-9-14-12-13-7-4-8-15(11)12/h1-9H.
What are the key properties of 3-phenylimidazo[1,2-a]pyrimidine?
3-phenylimidazo[1,2-a]pyrimidine has a molecular weight of 195.22 g/mol, XLogP of 2.40, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenylimidazo[1,2-a]pyrimidine is sourced from PubChem (CID 18001312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).