6-(5-fluoro-2-pyridinyl)-2-(phenoxymethyl)imidazo[1,2-a]pyrimidine

C18H13FN4O — CID 122506556

IUPAC6-(5-fluoro-2-pyridinyl)-2-(phenoxymethyl)imidazo[1,2-a]pyrimidine
SMILESFc1ccc(-c2cnc3nc(COc4ccccc4)cn3c2)nc1
InChIInChI=1S/C18H13FN4O/c19-14-6-7-17(20-9-14)13-8-21-18-22-15(11-23(18)10-13)12-24-16-4-2-1-3-5-16/h1-11H,12H2
InChIKeyCJIWSQDIHJKHBF-UHFFFAOYSA-N
MW320.33 g/mol
LogP3.51
Rot. Bonds4

About 6-(5-fluoro-2-pyridinyl)-2-(phenoxymethyl)imidazo[1,2-a]pyrimidine

6-(5-fluoro-2-pyridinyl)-2-(phenoxymethyl)imidazo[1,2-a]pyrimidine (PubChem CID 122506556) has the molecular formula C18H13FN4O and a molecular weight of 320.33 g/mol. Its IUPAC name is 6-(5-fluoro-2-pyridinyl)-2-(phenoxymethyl)imidazo[1,2-a]pyrimidine.

Molecular Properties

Compound Name6-(5-fluoro-2-pyridinyl)-2-(phenoxymethyl)imidazo[1,2-a]pyrimidine
PubChem CID122506556
Molecular FormulaC18H13FN4O
Molecular Weight320.33 g/mol
Exact Mass320.11
IUPAC Name6-(5-fluoro-2-pyridinyl)-2-(phenoxymethyl)imidazo[1,2-a]pyrimidine
SMILESFc1ccc(-c2cnc3nc(COc4ccccc4)cn3c2)nc1
InChIInChI=1S/C18H13FN4O/c19-14-6-7-17(20-9-14)13-8-21-18-22-15(11-23(18)10-13)12-24-16-4-2-1-3-5-16/h1-11H,12H2
InChIKeyCJIWSQDIHJKHBF-UHFFFAOYSA-N
XLogP3.51
TPSA52.31 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.33
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-(5-fluoro-2-pyridinyl)-2-(phenoxymethyl)imidazo[1,2-a]pyrimidine?
The IUPAC name of 6-(5-fluoro-2-pyridinyl)-2-(phenoxymethyl)imidazo[1,2-a]pyrimidine (CID 122506556) is 6-(5-fluoro-2-pyridinyl)-2-(phenoxymethyl)imidazo[1,2-a]pyrimidine.
What is the SMILES notation for 6-(5-fluoro-2-pyridinyl)-2-(phenoxymethyl)imidazo[1,2-a]pyrimidine?
The canonical SMILES for 6-(5-fluoro-2-pyridinyl)-2-(phenoxymethyl)imidazo[1,2-a]pyrimidine is Fc1ccc(-c2cnc3nc(COc4ccccc4)cn3c2)nc1.
What is the InChIKey of 6-(5-fluoro-2-pyridinyl)-2-(phenoxymethyl)imidazo[1,2-a]pyrimidine?
The InChIKey is CJIWSQDIHJKHBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13FN4O/c19-14-6-7-17(20-9-14)13-8-21-18-22-15(11-23(18)10-13)12-24-16-4-2-1-3-5-16/h1-11H,12H2.
What are the key properties of 6-(5-fluoro-2-pyridinyl)-2-(phenoxymethyl)imidazo[1,2-a]pyrimidine?
6-(5-fluoro-2-pyridinyl)-2-(phenoxymethyl)imidazo[1,2-a]pyrimidine has a molecular weight of 320.33 g/mol, XLogP of 3.51, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(5-fluoro-2-pyridinyl)-2-(phenoxymethyl)imidazo[1,2-a]pyrimidine is sourced from PubChem (CID 122506556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).