6-(2-methylphenyl)-2-(phenoxymethyl)imidazo[1,2-a]pyrimidine

C20H17N3O — CID 122506666

IUPAC6-(2-methylphenyl)-2-(phenoxymethyl)imidazo[1,2-a]pyrimidine
SMILESCc1ccccc1-c1cnc2nc(COc3ccccc3)cn2c1
InChIInChI=1S/C20H17N3O/c1-15-7-5-6-10-19(15)16-11-21-20-22-17(13-23(20)12-16)14-24-18-8-3-2-4-9-18/h2-13H,14H2,1H3
InChIKeyGTJVPLQOLWXHQD-UHFFFAOYSA-N
MW315.38 g/mol
LogP4.28
Rot. Bonds4

About 6-(2-methylphenyl)-2-(phenoxymethyl)imidazo[1,2-a]pyrimidine

6-(2-methylphenyl)-2-(phenoxymethyl)imidazo[1,2-a]pyrimidine (PubChem CID 122506666) has the molecular formula C20H17N3O and a molecular weight of 315.38 g/mol. Its IUPAC name is 6-(2-methylphenyl)-2-(phenoxymethyl)imidazo[1,2-a]pyrimidine.

Molecular Properties

Compound Name6-(2-methylphenyl)-2-(phenoxymethyl)imidazo[1,2-a]pyrimidine
PubChem CID122506666
Molecular FormulaC20H17N3O
Molecular Weight315.38 g/mol
Exact Mass315.14
IUPAC Name6-(2-methylphenyl)-2-(phenoxymethyl)imidazo[1,2-a]pyrimidine
SMILESCc1ccccc1-c1cnc2nc(COc3ccccc3)cn2c1
InChIInChI=1S/C20H17N3O/c1-15-7-5-6-10-19(15)16-11-21-20-22-17(13-23(20)12-16)14-24-18-8-3-2-4-9-18/h2-13H,14H2,1H3
InChIKeyGTJVPLQOLWXHQD-UHFFFAOYSA-N
XLogP4.28
TPSA39.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.38
LogP ≤ 54.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-methyl-3-[2-(phenoxymethyl)imidazo[1,2-a]pyrimidin-6-yl]aniline
CID 122506562
2-[2-(phenoxymethyl)imidazo[1,2-a]pyrimidin-6-yl]aniline
CID 122506591
6-(2-fluorophenyl)-2-(phenoxymethyl)imidazo[1,2-a]pyrimidine
CID 122506561
N,N-dimethyl-2-[2-(phenoxymethyl)imidazo[1,2-a]pyrimidin-6-yl]aniline
CID 122506581
6-(6-fluoro-4-methyl-3-pyridinyl)-2-(phenoxymethyl)imidazo[1,2-a]pyrimidine
CID 122506719
[6-(2-methylphenyl)imidazo[1,2-a]pyrimidin-2-yl]methanamine
CID 117000165
N,N-dimethyl-1-[2-[2-(phenoxymethyl)imidazo[1,2-a]pyrimidin-6-yl]phenyl]methanamine
CID 163445586
6-(2,6-dimethylphenyl)-2-[(4-fluorophenoxy)methyl]imidazo[1,2-a]pyrimidine
CID 122506647
6-(2-methylcyclohexa-1,3-dien-1-yl)-2-(phenoxymethyl)imidazo[1,2-a]pyrimidine
CID 155468144
6-(4-fluoro-2-methylphenyl)-2-[(5-fluoro-2-pyridinyl)oxymethyl]imidazo[1,2-a]pyrimidine
CID 122506760
6-[2-(chloromethyl)-4-fluorophenyl]-2-[(4-fluorophenoxy)methyl]imidazo[1,2-a]pyrimidine
CID 122506754
6-(2-fluoro-4-methylphenyl)-2-(pyridin-2-yloxymethyl)imidazo[1,2-a]pyrimidine
CID 122506684

Frequently Asked Questions

What is the IUPAC name of 6-(2-methylphenyl)-2-(phenoxymethyl)imidazo[1,2-a]pyrimidine?
The IUPAC name of 6-(2-methylphenyl)-2-(phenoxymethyl)imidazo[1,2-a]pyrimidine (CID 122506666) is 6-(2-methylphenyl)-2-(phenoxymethyl)imidazo[1,2-a]pyrimidine.
What is the SMILES notation for 6-(2-methylphenyl)-2-(phenoxymethyl)imidazo[1,2-a]pyrimidine?
The canonical SMILES for 6-(2-methylphenyl)-2-(phenoxymethyl)imidazo[1,2-a]pyrimidine is Cc1ccccc1-c1cnc2nc(COc3ccccc3)cn2c1.
What is the InChIKey of 6-(2-methylphenyl)-2-(phenoxymethyl)imidazo[1,2-a]pyrimidine?
The InChIKey is GTJVPLQOLWXHQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N3O/c1-15-7-5-6-10-19(15)16-11-21-20-22-17(13-23(20)12-16)14-24-18-8-3-2-4-9-18/h2-13H,14H2,1H3.
What are the key properties of 6-(2-methylphenyl)-2-(phenoxymethyl)imidazo[1,2-a]pyrimidine?
6-(2-methylphenyl)-2-(phenoxymethyl)imidazo[1,2-a]pyrimidine has a molecular weight of 315.38 g/mol, XLogP of 4.28, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-methylphenyl)-2-(phenoxymethyl)imidazo[1,2-a]pyrimidine is sourced from PubChem (CID 122506666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).