6-(2-methylcyclohexa-1,3-dien-1-yl)-2-(phenoxymethyl)imidazo[1,2-a]pyrimidine

C20H19N3O — CID 155468144

IUPAC6-(2-methylcyclohexa-1,3-dien-1-yl)-2-(phenoxymethyl)imidazo[1,2-a]pyrimidine
SMILESCC1=C(c2cnc3nc(COc4ccccc4)cn3c2)CCC=C1
InChIInChI=1S/C20H19N3O/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/h2-5,7-9,11-13H,6,10,14H2,1H3
InChIKeyLOZDDCLYGPSXEA-UHFFFAOYSA-N
MW317.39 g/mol
LogP4.43
Rot. Bonds4

About 6-(2-methylcyclohexa-1,3-dien-1-yl)-2-(phenoxymethyl)imidazo[1,2-a]pyrimidine

6-(2-methylcyclohexa-1,3-dien-1-yl)-2-(phenoxymethyl)imidazo[1,2-a]pyrimidine (PubChem CID 155468144) has the molecular formula C20H19N3O and a molecular weight of 317.39 g/mol. Its IUPAC name is 6-(2-methylcyclohexa-1,3-dien-1-yl)-2-(phenoxymethyl)imidazo[1,2-a]pyrimidine.

Molecular Properties

Compound Name6-(2-methylcyclohexa-1,3-dien-1-yl)-2-(phenoxymethyl)imidazo[1,2-a]pyrimidine
PubChem CID155468144
Molecular FormulaC20H19N3O
Molecular Weight317.39 g/mol
Exact Mass317.15
IUPAC Name6-(2-methylcyclohexa-1,3-dien-1-yl)-2-(phenoxymethyl)imidazo[1,2-a]pyrimidine
SMILESCC1=C(c2cnc3nc(COc4ccccc4)cn3c2)CCC=C1
InChIInChI=1S/C20H19N3O/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/h2-5,7-9,11-13H,6,10,14H2,1H3
InChIKeyLOZDDCLYGPSXEA-UHFFFAOYSA-N
XLogP4.43
TPSA39.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.39
LogP ≤ 54.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-(2-methylcyclohexa-1,3-dien-1-yl)-2-(phenoxymethyl)imidazo[1,2-a]pyrimidine?
The IUPAC name of 6-(2-methylcyclohexa-1,3-dien-1-yl)-2-(phenoxymethyl)imidazo[1,2-a]pyrimidine (CID 155468144) is 6-(2-methylcyclohexa-1,3-dien-1-yl)-2-(phenoxymethyl)imidazo[1,2-a]pyrimidine.
What is the SMILES notation for 6-(2-methylcyclohexa-1,3-dien-1-yl)-2-(phenoxymethyl)imidazo[1,2-a]pyrimidine?
The canonical SMILES for 6-(2-methylcyclohexa-1,3-dien-1-yl)-2-(phenoxymethyl)imidazo[1,2-a]pyrimidine is CC1=C(c2cnc3nc(COc4ccccc4)cn3c2)CCC=C1.
What is the InChIKey of 6-(2-methylcyclohexa-1,3-dien-1-yl)-2-(phenoxymethyl)imidazo[1,2-a]pyrimidine?
The InChIKey is LOZDDCLYGPSXEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O/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/h2-5,7-9,11-13H,6,10,14H2,1H3.
What are the key properties of 6-(2-methylcyclohexa-1,3-dien-1-yl)-2-(phenoxymethyl)imidazo[1,2-a]pyrimidine?
6-(2-methylcyclohexa-1,3-dien-1-yl)-2-(phenoxymethyl)imidazo[1,2-a]pyrimidine has a molecular weight of 317.39 g/mol, XLogP of 4.43, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-methylcyclohexa-1,3-dien-1-yl)-2-(phenoxymethyl)imidazo[1,2-a]pyrimidine is sourced from PubChem (CID 155468144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).