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

C18H12F2N4O — CID 122506565

IUPAC2-[(3-fluorophenoxy)methyl]-6-(6-fluoro-3-pyridinyl)imidazo[1,2-a]pyrimidine
SMILESFc1cccc(OCc2cn3cc(-c4ccc(F)nc4)cnc3n2)c1
InChIInChI=1S/C18H12F2N4O/c19-14-2-1-3-16(6-14)25-11-15-10-24-9-13(8-22-18(24)23-15)12-4-5-17(20)21-7-12/h1-10H,11H2
InChIKeyBNUCGTYEEGGTPT-UHFFFAOYSA-N
MW338.32 g/mol
LogP3.65
Rot. Bonds4

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

2-[(3-fluorophenoxy)methyl]-6-(6-fluoro-3-pyridinyl)imidazo[1,2-a]pyrimidine (PubChem CID 122506565) has the molecular formula C18H12F2N4O and a molecular weight of 338.32 g/mol. Its IUPAC name is 2-[(3-fluorophenoxy)methyl]-6-(6-fluoro-3-pyridinyl)imidazo[1,2-a]pyrimidine.

Molecular Properties

Compound Name2-[(3-fluorophenoxy)methyl]-6-(6-fluoro-3-pyridinyl)imidazo[1,2-a]pyrimidine
PubChem CID122506565
Molecular FormulaC18H12F2N4O
Molecular Weight338.32 g/mol
Exact Mass338.10
IUPAC Name2-[(3-fluorophenoxy)methyl]-6-(6-fluoro-3-pyridinyl)imidazo[1,2-a]pyrimidine
SMILESFc1cccc(OCc2cn3cc(-c4ccc(F)nc4)cnc3n2)c1
InChIInChI=1S/C18H12F2N4O/c19-14-2-1-3-16(6-14)25-11-15-10-24-9-13(8-22-18(24)23-15)12-4-5-17(20)21-7-12/h1-10H,11H2
InChIKeyBNUCGTYEEGGTPT-UHFFFAOYSA-N
XLogP3.65
TPSA52.31 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.32
LogP ≤ 53.65
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 2-[(3-fluorophenoxy)methyl]-6-(6-fluoro-3-pyridinyl)imidazo[1,2-a]pyrimidine?
The IUPAC name of 2-[(3-fluorophenoxy)methyl]-6-(6-fluoro-3-pyridinyl)imidazo[1,2-a]pyrimidine (CID 122506565) is 2-[(3-fluorophenoxy)methyl]-6-(6-fluoro-3-pyridinyl)imidazo[1,2-a]pyrimidine.
What is the SMILES notation for 2-[(3-fluorophenoxy)methyl]-6-(6-fluoro-3-pyridinyl)imidazo[1,2-a]pyrimidine?
The canonical SMILES for 2-[(3-fluorophenoxy)methyl]-6-(6-fluoro-3-pyridinyl)imidazo[1,2-a]pyrimidine is Fc1cccc(OCc2cn3cc(-c4ccc(F)nc4)cnc3n2)c1.
What is the InChIKey of 2-[(3-fluorophenoxy)methyl]-6-(6-fluoro-3-pyridinyl)imidazo[1,2-a]pyrimidine?
The InChIKey is BNUCGTYEEGGTPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12F2N4O/c19-14-2-1-3-16(6-14)25-11-15-10-24-9-13(8-22-18(24)23-15)12-4-5-17(20)21-7-12/h1-10H,11H2.
What are the key properties of 2-[(3-fluorophenoxy)methyl]-6-(6-fluoro-3-pyridinyl)imidazo[1,2-a]pyrimidine?
2-[(3-fluorophenoxy)methyl]-6-(6-fluoro-3-pyridinyl)imidazo[1,2-a]pyrimidine has a molecular weight of 338.32 g/mol, XLogP of 3.65, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-fluorophenoxy)methyl]-6-(6-fluoro-3-pyridinyl)imidazo[1,2-a]pyrimidine is sourced from PubChem (CID 122506565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).