N,N-dimethyl-2-[2-(phenoxymethyl)imidazo[1,2-a]pyrimidin-6-yl]aniline

C21H20N4O — CID 122506581

IUPACN,N-dimethyl-2-[2-(phenoxymethyl)imidazo[1,2-a]pyrimidin-6-yl]aniline
SMILESCN(C)c1ccccc1-c1cnc2nc(COc3ccccc3)cn2c1
InChIInChI=1S/C21H20N4O/c1-24(2)20-11-7-6-10-19(20)16-12-22-21-23-17(14-25(21)13-16)15-26-18-8-4-3-5-9-18/h3-14H,15H2,1-2H3
InChIKeyRDXPJTWFILGIIH-UHFFFAOYSA-N
MW344.42 g/mol
LogP4.04
Rot. Bonds5

About N,N-dimethyl-2-[2-(phenoxymethyl)imidazo[1,2-a]pyrimidin-6-yl]aniline

N,N-dimethyl-2-[2-(phenoxymethyl)imidazo[1,2-a]pyrimidin-6-yl]aniline (PubChem CID 122506581) has the molecular formula C21H20N4O and a molecular weight of 344.42 g/mol. Its IUPAC name is N,N-dimethyl-2-[2-(phenoxymethyl)imidazo[1,2-a]pyrimidin-6-yl]aniline.

Molecular Properties

Compound NameN,N-dimethyl-2-[2-(phenoxymethyl)imidazo[1,2-a]pyrimidin-6-yl]aniline
PubChem CID122506581
Molecular FormulaC21H20N4O
Molecular Weight344.42 g/mol
Exact Mass344.16
IUPAC NameN,N-dimethyl-2-[2-(phenoxymethyl)imidazo[1,2-a]pyrimidin-6-yl]aniline
SMILESCN(C)c1ccccc1-c1cnc2nc(COc3ccccc3)cn2c1
InChIInChI=1S/C21H20N4O/c1-24(2)20-11-7-6-10-19(20)16-12-22-21-23-17(14-25(21)13-16)15-26-18-8-4-3-5-9-18/h3-14H,15H2,1-2H3
InChIKeyRDXPJTWFILGIIH-UHFFFAOYSA-N
XLogP4.04
TPSA42.66 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.42
LogP ≤ 54.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze N,N-dimethyl-2-[2-(phenoxymethyl)imidazo[1,2-a]pyrimidin-6-yl]aniline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-[2-(phenoxymethyl)imidazo[1,2-a]pyrimidin-6-yl]aniline?
The IUPAC name of N,N-dimethyl-2-[2-(phenoxymethyl)imidazo[1,2-a]pyrimidin-6-yl]aniline (CID 122506581) is N,N-dimethyl-2-[2-(phenoxymethyl)imidazo[1,2-a]pyrimidin-6-yl]aniline.
What is the SMILES notation for N,N-dimethyl-2-[2-(phenoxymethyl)imidazo[1,2-a]pyrimidin-6-yl]aniline?
The canonical SMILES for N,N-dimethyl-2-[2-(phenoxymethyl)imidazo[1,2-a]pyrimidin-6-yl]aniline is CN(C)c1ccccc1-c1cnc2nc(COc3ccccc3)cn2c1.
What is the InChIKey of N,N-dimethyl-2-[2-(phenoxymethyl)imidazo[1,2-a]pyrimidin-6-yl]aniline?
The InChIKey is RDXPJTWFILGIIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N4O/c1-24(2)20-11-7-6-10-19(20)16-12-22-21-23-17(14-25(21)13-16)15-26-18-8-4-3-5-9-18/h3-14H,15H2,1-2H3.
What are the key properties of N,N-dimethyl-2-[2-(phenoxymethyl)imidazo[1,2-a]pyrimidin-6-yl]aniline?
N,N-dimethyl-2-[2-(phenoxymethyl)imidazo[1,2-a]pyrimidin-6-yl]aniline has a molecular weight of 344.42 g/mol, XLogP of 4.04, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-[2-(phenoxymethyl)imidazo[1,2-a]pyrimidin-6-yl]aniline is sourced from PubChem (CID 122506581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).