6-(2,6-dimethylphenyl)-2-[(4-fluorophenoxy)methyl]imidazo[1,2-a]pyrimidine

C21H18FN3O — CID 122506647

IUPAC6-(2,6-dimethylphenyl)-2-[(4-fluorophenoxy)methyl]imidazo[1,2-a]pyrimidine
SMILESCc1cccc(C)c1-c1cnc2nc(COc3ccc(F)cc3)cn2c1
InChIInChI=1S/C21H18FN3O/c1-14-4-3-5-15(2)20(14)16-10-23-21-24-18(12-25(21)11-16)13-26-19-8-6-17(22)7-9-19/h3-12H,13H2,1-2H3
InChIKeyNUCXFRQHANKVNV-UHFFFAOYSA-N
MW347.39 g/mol
LogP4.73
Rot. Bonds4

About 6-(2,6-dimethylphenyl)-2-[(4-fluorophenoxy)methyl]imidazo[1,2-a]pyrimidine

6-(2,6-dimethylphenyl)-2-[(4-fluorophenoxy)methyl]imidazo[1,2-a]pyrimidine (PubChem CID 122506647) has the molecular formula C21H18FN3O and a molecular weight of 347.39 g/mol. Its IUPAC name is 6-(2,6-dimethylphenyl)-2-[(4-fluorophenoxy)methyl]imidazo[1,2-a]pyrimidine.

Molecular Properties

Compound Name6-(2,6-dimethylphenyl)-2-[(4-fluorophenoxy)methyl]imidazo[1,2-a]pyrimidine
PubChem CID122506647
Molecular FormulaC21H18FN3O
Molecular Weight347.39 g/mol
Exact Mass347.14
IUPAC Name6-(2,6-dimethylphenyl)-2-[(4-fluorophenoxy)methyl]imidazo[1,2-a]pyrimidine
SMILESCc1cccc(C)c1-c1cnc2nc(COc3ccc(F)cc3)cn2c1
InChIInChI=1S/C21H18FN3O/c1-14-4-3-5-15(2)20(14)16-10-23-21-24-18(12-25(21)11-16)13-26-19-8-6-17(22)7-9-19/h3-12H,13H2,1-2H3
InChIKeyNUCXFRQHANKVNV-UHFFFAOYSA-N
XLogP4.73
TPSA39.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.39
LogP ≤ 54.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

6-(2-methylphenyl)-2-(phenoxymethyl)imidazo[1,2-a]pyrimidine
CID 122506666
6-[2-(chloromethyl)-4-fluorophenyl]-2-[(4-fluorophenoxy)methyl]imidazo[1,2-a]pyrimidine
CID 122506754
6-(6-fluoro-4-methyl-3-pyridinyl)-2-(phenoxymethyl)imidazo[1,2-a]pyrimidine
CID 122506719
[5-fluoro-2-[2-[(4-fluorophenoxy)methyl]imidazo[1,2-a]pyrimidin-6-yl]phenyl]methyl carbamate
CID 122506560
6-(3-ethenyl-4-methoxyphenyl)-2-[(4-fluorophenoxy)methyl]imidazo[1,2-a]pyrimidine
CID 145145149
6-(2-fluorophenyl)-2-(phenoxymethyl)imidazo[1,2-a]pyrimidine
CID 122506561
6-(4-fluorophenyl)-2-[(2-fluoro-4-pyridinyl)oxymethyl]imidazo[1,2-a]pyrimidine
CID 122506657
4-methyl-3-[2-(phenoxymethyl)imidazo[1,2-a]pyrimidin-6-yl]aniline
CID 122506562
2-[(5-chloro-3-pyridinyl)oxymethyl]-6-(4-fluorophenyl)imidazo[1,2-a]pyrimidine
CID 158629094
6-(4-fluoro-2-methylphenyl)-2-[(5-fluoro-2-pyridinyl)oxymethyl]imidazo[1,2-a]pyrimidine
CID 122506760
2-[2-(phenoxymethyl)imidazo[1,2-a]pyrimidin-6-yl]aniline
CID 122506591
N,N-dimethyl-2-[2-(phenoxymethyl)imidazo[1,2-a]pyrimidin-6-yl]aniline
CID 122506581

Frequently Asked Questions

What is the IUPAC name of 6-(2,6-dimethylphenyl)-2-[(4-fluorophenoxy)methyl]imidazo[1,2-a]pyrimidine?
The IUPAC name of 6-(2,6-dimethylphenyl)-2-[(4-fluorophenoxy)methyl]imidazo[1,2-a]pyrimidine (CID 122506647) is 6-(2,6-dimethylphenyl)-2-[(4-fluorophenoxy)methyl]imidazo[1,2-a]pyrimidine.
What is the SMILES notation for 6-(2,6-dimethylphenyl)-2-[(4-fluorophenoxy)methyl]imidazo[1,2-a]pyrimidine?
The canonical SMILES for 6-(2,6-dimethylphenyl)-2-[(4-fluorophenoxy)methyl]imidazo[1,2-a]pyrimidine is Cc1cccc(C)c1-c1cnc2nc(COc3ccc(F)cc3)cn2c1.
What is the InChIKey of 6-(2,6-dimethylphenyl)-2-[(4-fluorophenoxy)methyl]imidazo[1,2-a]pyrimidine?
The InChIKey is NUCXFRQHANKVNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18FN3O/c1-14-4-3-5-15(2)20(14)16-10-23-21-24-18(12-25(21)11-16)13-26-19-8-6-17(22)7-9-19/h3-12H,13H2,1-2H3.
What are the key properties of 6-(2,6-dimethylphenyl)-2-[(4-fluorophenoxy)methyl]imidazo[1,2-a]pyrimidine?
6-(2,6-dimethylphenyl)-2-[(4-fluorophenoxy)methyl]imidazo[1,2-a]pyrimidine has a molecular weight of 347.39 g/mol, XLogP of 4.73, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,6-dimethylphenyl)-2-[(4-fluorophenoxy)methyl]imidazo[1,2-a]pyrimidine is sourced from PubChem (CID 122506647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).