3-imidazo[1,2-a]pyrimidin-2-ylaniline

C12H10N4 — CID 1477845

IUPAC3-imidazo[1,2-a]pyrimidin-2-ylaniline
SMILESNc1cccc(-c2cn3cccnc3n2)c1
InChIInChI=1S/C12H10N4/c13-10-4-1-3-9(7-10)11-8-16-6-2-5-14-12(16)15-11/h1-8H,13H2
InChIKeyHUUWWGMUBHRQMS-UHFFFAOYSA-N
MW210.24 g/mol
LogP1.98
Rot. Bonds1

About 3-imidazo[1,2-a]pyrimidin-2-ylaniline

3-imidazo[1,2-a]pyrimidin-2-ylaniline (PubChem CID 1477845) has the molecular formula C12H10N4 and a molecular weight of 210.24 g/mol. Its IUPAC name is 3-imidazo[1,2-a]pyrimidin-2-ylaniline.

Molecular Properties

Compound Name3-imidazo[1,2-a]pyrimidin-2-ylaniline
PubChem CID1477845
Molecular FormulaC12H10N4
Molecular Weight210.24 g/mol
Exact Mass210.09
IUPAC Name3-imidazo[1,2-a]pyrimidin-2-ylaniline
SMILESNc1cccc(-c2cn3cccnc3n2)c1
InChIInChI=1S/C12H10N4/c13-10-4-1-3-9(7-10)11-8-16-6-2-5-14-12(16)15-11/h1-8H,13H2
InChIKeyHUUWWGMUBHRQMS-UHFFFAOYSA-N
XLogP1.98
TPSA56.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.24
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-imidazo[1,2-a]pyrimidin-2-ylaniline?
The IUPAC name of 3-imidazo[1,2-a]pyrimidin-2-ylaniline (CID 1477845) is 3-imidazo[1,2-a]pyrimidin-2-ylaniline.
What is the SMILES notation for 3-imidazo[1,2-a]pyrimidin-2-ylaniline?
The canonical SMILES for 3-imidazo[1,2-a]pyrimidin-2-ylaniline is Nc1cccc(-c2cn3cccnc3n2)c1.
What is the InChIKey of 3-imidazo[1,2-a]pyrimidin-2-ylaniline?
The InChIKey is HUUWWGMUBHRQMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N4/c13-10-4-1-3-9(7-10)11-8-16-6-2-5-14-12(16)15-11/h1-8H,13H2.
What are the key properties of 3-imidazo[1,2-a]pyrimidin-2-ylaniline?
3-imidazo[1,2-a]pyrimidin-2-ylaniline has a molecular weight of 210.24 g/mol, XLogP of 1.98, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-imidazo[1,2-a]pyrimidin-2-ylaniline is sourced from PubChem (CID 1477845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).