4-fluoro-3-(6-pyridin-2-ylimidazo[1,2-a]pyrimidin-2-yl)aniline;hydrochloride

C17H13ClFN5 — CID 118875275

IUPAC4-fluoro-3-(6-pyridin-2-ylimidazo[1,2-a]pyrimidin-2-yl)aniline;hydrochloride
SMILESCl.Nc1ccc(F)c(-c2cn3cc(-c4ccccn4)cnc3n2)c1
InChIInChI=1S/C17H12FN5.ClH/c18-14-5-4-12(19)7-13(14)16-10-23-9-11(8-21-17(23)22-16)15-3-1-2-6-20-15;/h1-10H,19H2;1H
InChIKeyJNPZIFMRJISQOA-UHFFFAOYSA-N
MW341.78 g/mol
LogP3.60
Rot. Bonds2

About 4-fluoro-3-(6-pyridin-2-ylimidazo[1,2-a]pyrimidin-2-yl)aniline;hydrochloride

4-fluoro-3-(6-pyridin-2-ylimidazo[1,2-a]pyrimidin-2-yl)aniline;hydrochloride (PubChem CID 118875275) has the molecular formula C17H13ClFN5 and a molecular weight of 341.78 g/mol. Its IUPAC name is 4-fluoro-3-(6-pyridin-2-ylimidazo[1,2-a]pyrimidin-2-yl)aniline;hydrochloride.

Molecular Properties

Compound Name4-fluoro-3-(6-pyridin-2-ylimidazo[1,2-a]pyrimidin-2-yl)aniline;hydrochloride
PubChem CID118875275
Molecular FormulaC17H13ClFN5
Molecular Weight341.78 g/mol
Exact Mass341.08
IUPAC Name4-fluoro-3-(6-pyridin-2-ylimidazo[1,2-a]pyrimidin-2-yl)aniline;hydrochloride
SMILESCl.Nc1ccc(F)c(-c2cn3cc(-c4ccccn4)cnc3n2)c1
InChIInChI=1S/C17H12FN5.ClH/c18-14-5-4-12(19)7-13(14)16-10-23-9-11(8-21-17(23)22-16)15-3-1-2-6-20-15;/h1-10H,19H2;1H
InChIKeyJNPZIFMRJISQOA-UHFFFAOYSA-N
XLogP3.60
TPSA69.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.78
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-3-(6-pyridin-2-ylimidazo[1,2-a]pyrimidin-2-yl)aniline;hydrochloride?
The IUPAC name of 4-fluoro-3-(6-pyridin-2-ylimidazo[1,2-a]pyrimidin-2-yl)aniline;hydrochloride (CID 118875275) is 4-fluoro-3-(6-pyridin-2-ylimidazo[1,2-a]pyrimidin-2-yl)aniline;hydrochloride.
What is the SMILES notation for 4-fluoro-3-(6-pyridin-2-ylimidazo[1,2-a]pyrimidin-2-yl)aniline;hydrochloride?
The canonical SMILES for 4-fluoro-3-(6-pyridin-2-ylimidazo[1,2-a]pyrimidin-2-yl)aniline;hydrochloride is Cl.Nc1ccc(F)c(-c2cn3cc(-c4ccccn4)cnc3n2)c1.
What is the InChIKey of 4-fluoro-3-(6-pyridin-2-ylimidazo[1,2-a]pyrimidin-2-yl)aniline;hydrochloride?
The InChIKey is JNPZIFMRJISQOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12FN5.ClH/c18-14-5-4-12(19)7-13(14)16-10-23-9-11(8-21-17(23)22-16)15-3-1-2-6-20-15;/h1-10H,19H2;1H.
What are the key properties of 4-fluoro-3-(6-pyridin-2-ylimidazo[1,2-a]pyrimidin-2-yl)aniline;hydrochloride?
4-fluoro-3-(6-pyridin-2-ylimidazo[1,2-a]pyrimidin-2-yl)aniline;hydrochloride has a molecular weight of 341.78 g/mol, XLogP of 3.60, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-3-(6-pyridin-2-ylimidazo[1,2-a]pyrimidin-2-yl)aniline;hydrochloride is sourced from PubChem (CID 118875275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).