6-(6-fluoro-4-methyl-3-pyridinyl)-2-(phenoxymethyl)imidazo[1,2-a]pyrimidine

C19H15FN4O — CID 122506719

IUPAC6-(6-fluoro-4-methyl-3-pyridinyl)-2-(phenoxymethyl)imidazo[1,2-a]pyrimidine
SMILESCc1cc(F)ncc1-c1cnc2nc(COc3ccccc3)cn2c1
InChIInChI=1S/C19H15FN4O/c1-13-7-18(20)21-9-17(13)14-8-22-19-23-15(11-24(19)10-14)12-25-16-5-3-2-4-6-16/h2-11H,12H2,1H3
InChIKeyWUOFCJKPYKXEBX-UHFFFAOYSA-N
MW334.35 g/mol
LogP3.82
Rot. Bonds4

About 6-(6-fluoro-4-methyl-3-pyridinyl)-2-(phenoxymethyl)imidazo[1,2-a]pyrimidine

6-(6-fluoro-4-methyl-3-pyridinyl)-2-(phenoxymethyl)imidazo[1,2-a]pyrimidine (PubChem CID 122506719) has the molecular formula C19H15FN4O and a molecular weight of 334.35 g/mol. Its IUPAC name is 6-(6-fluoro-4-methyl-3-pyridinyl)-2-(phenoxymethyl)imidazo[1,2-a]pyrimidine.

Molecular Properties

Compound Name6-(6-fluoro-4-methyl-3-pyridinyl)-2-(phenoxymethyl)imidazo[1,2-a]pyrimidine
PubChem CID122506719
Molecular FormulaC19H15FN4O
Molecular Weight334.35 g/mol
Exact Mass334.12
IUPAC Name6-(6-fluoro-4-methyl-3-pyridinyl)-2-(phenoxymethyl)imidazo[1,2-a]pyrimidine
SMILESCc1cc(F)ncc1-c1cnc2nc(COc3ccccc3)cn2c1
InChIInChI=1S/C19H15FN4O/c1-13-7-18(20)21-9-17(13)14-8-22-19-23-15(11-24(19)10-14)12-25-16-5-3-2-4-6-16/h2-11H,12H2,1H3
InChIKeyWUOFCJKPYKXEBX-UHFFFAOYSA-N
XLogP3.82
TPSA52.31 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.35
LogP ≤ 53.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-(6-fluoro-4-methyl-3-pyridinyl)-2-(phenoxymethyl)imidazo[1,2-a]pyrimidine?
The IUPAC name of 6-(6-fluoro-4-methyl-3-pyridinyl)-2-(phenoxymethyl)imidazo[1,2-a]pyrimidine (CID 122506719) is 6-(6-fluoro-4-methyl-3-pyridinyl)-2-(phenoxymethyl)imidazo[1,2-a]pyrimidine.
What is the SMILES notation for 6-(6-fluoro-4-methyl-3-pyridinyl)-2-(phenoxymethyl)imidazo[1,2-a]pyrimidine?
The canonical SMILES for 6-(6-fluoro-4-methyl-3-pyridinyl)-2-(phenoxymethyl)imidazo[1,2-a]pyrimidine is Cc1cc(F)ncc1-c1cnc2nc(COc3ccccc3)cn2c1.
What is the InChIKey of 6-(6-fluoro-4-methyl-3-pyridinyl)-2-(phenoxymethyl)imidazo[1,2-a]pyrimidine?
The InChIKey is WUOFCJKPYKXEBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15FN4O/c1-13-7-18(20)21-9-17(13)14-8-22-19-23-15(11-24(19)10-14)12-25-16-5-3-2-4-6-16/h2-11H,12H2,1H3.
What are the key properties of 6-(6-fluoro-4-methyl-3-pyridinyl)-2-(phenoxymethyl)imidazo[1,2-a]pyrimidine?
6-(6-fluoro-4-methyl-3-pyridinyl)-2-(phenoxymethyl)imidazo[1,2-a]pyrimidine has a molecular weight of 334.35 g/mol, XLogP of 3.82, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(6-fluoro-4-methyl-3-pyridinyl)-2-(phenoxymethyl)imidazo[1,2-a]pyrimidine is sourced from PubChem (CID 122506719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).