6-(4-fluoro-2-methylphenyl)-2-[(5-fluoro-2-pyridinyl)oxymethyl]imidazo[1,2-a]pyrimidine

C19H14F2N4O — CID 122506760

IUPAC6-(4-fluoro-2-methylphenyl)-2-[(5-fluoro-2-pyridinyl)oxymethyl]imidazo[1,2-a]pyrimidine
SMILESCc1cc(F)ccc1-c1cnc2nc(COc3ccc(F)cn3)cn2c1
InChIInChI=1S/C19H14F2N4O/c1-12-6-14(20)2-4-17(12)13-7-23-19-24-16(10-25(19)9-13)11-26-18-5-3-15(21)8-22-18/h2-10H,11H2,1H3
InChIKeyVPSHEACHQHTIHA-UHFFFAOYSA-N
MW352.34 g/mol
LogP3.96
Rot. Bonds4

About 6-(4-fluoro-2-methylphenyl)-2-[(5-fluoro-2-pyridinyl)oxymethyl]imidazo[1,2-a]pyrimidine

6-(4-fluoro-2-methylphenyl)-2-[(5-fluoro-2-pyridinyl)oxymethyl]imidazo[1,2-a]pyrimidine (PubChem CID 122506760) has the molecular formula C19H14F2N4O and a molecular weight of 352.34 g/mol. Its IUPAC name is 6-(4-fluoro-2-methylphenyl)-2-[(5-fluoro-2-pyridinyl)oxymethyl]imidazo[1,2-a]pyrimidine.

Molecular Properties

Compound Name6-(4-fluoro-2-methylphenyl)-2-[(5-fluoro-2-pyridinyl)oxymethyl]imidazo[1,2-a]pyrimidine
PubChem CID122506760
Molecular FormulaC19H14F2N4O
Molecular Weight352.34 g/mol
Exact Mass352.11
IUPAC Name6-(4-fluoro-2-methylphenyl)-2-[(5-fluoro-2-pyridinyl)oxymethyl]imidazo[1,2-a]pyrimidine
SMILESCc1cc(F)ccc1-c1cnc2nc(COc3ccc(F)cn3)cn2c1
InChIInChI=1S/C19H14F2N4O/c1-12-6-14(20)2-4-17(12)13-7-23-19-24-16(10-25(19)9-13)11-26-18-5-3-15(21)8-22-18/h2-10H,11H2,1H3
InChIKeyVPSHEACHQHTIHA-UHFFFAOYSA-N
XLogP3.96
TPSA52.31 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.34
LogP ≤ 53.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-(4-fluoro-2-methylphenyl)-2-[(5-fluoro-2-pyridinyl)oxymethyl]imidazo[1,2-a]pyrimidine?
The IUPAC name of 6-(4-fluoro-2-methylphenyl)-2-[(5-fluoro-2-pyridinyl)oxymethyl]imidazo[1,2-a]pyrimidine (CID 122506760) is 6-(4-fluoro-2-methylphenyl)-2-[(5-fluoro-2-pyridinyl)oxymethyl]imidazo[1,2-a]pyrimidine.
What is the SMILES notation for 6-(4-fluoro-2-methylphenyl)-2-[(5-fluoro-2-pyridinyl)oxymethyl]imidazo[1,2-a]pyrimidine?
The canonical SMILES for 6-(4-fluoro-2-methylphenyl)-2-[(5-fluoro-2-pyridinyl)oxymethyl]imidazo[1,2-a]pyrimidine is Cc1cc(F)ccc1-c1cnc2nc(COc3ccc(F)cn3)cn2c1.
What is the InChIKey of 6-(4-fluoro-2-methylphenyl)-2-[(5-fluoro-2-pyridinyl)oxymethyl]imidazo[1,2-a]pyrimidine?
The InChIKey is VPSHEACHQHTIHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14F2N4O/c1-12-6-14(20)2-4-17(12)13-7-23-19-24-16(10-25(19)9-13)11-26-18-5-3-15(21)8-22-18/h2-10H,11H2,1H3.
What are the key properties of 6-(4-fluoro-2-methylphenyl)-2-[(5-fluoro-2-pyridinyl)oxymethyl]imidazo[1,2-a]pyrimidine?
6-(4-fluoro-2-methylphenyl)-2-[(5-fluoro-2-pyridinyl)oxymethyl]imidazo[1,2-a]pyrimidine has a molecular weight of 352.34 g/mol, XLogP of 3.96, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-fluoro-2-methylphenyl)-2-[(5-fluoro-2-pyridinyl)oxymethyl]imidazo[1,2-a]pyrimidine is sourced from PubChem (CID 122506760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).