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

C22H22N4O — CID 163445586

IUPACN,N-dimethyl-1-[2-[2-(phenoxymethyl)imidazo[1,2-a]pyrimidin-6-yl]phenyl]methanamine
SMILESCN(C)Cc1ccccc1-c1cnc2nc(COc3ccccc3)cn2c1
InChIInChI=1S/C22H22N4O/c1-25(2)13-17-8-6-7-11-21(17)18-12-23-22-24-19(15-26(22)14-18)16-27-20-9-4-3-5-10-20/h3-12,14-15H,13,16H2,1-2H3
InChIKeyBCFRYPUSBYLXJN-UHFFFAOYSA-N
MW358.45 g/mol
LogP4.04
Rot. Bonds6

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

N,N-dimethyl-1-[2-[2-(phenoxymethyl)imidazo[1,2-a]pyrimidin-6-yl]phenyl]methanamine (PubChem CID 163445586) has the molecular formula C22H22N4O and a molecular weight of 358.45 g/mol. Its IUPAC name is N,N-dimethyl-1-[2-[2-(phenoxymethyl)imidazo[1,2-a]pyrimidin-6-yl]phenyl]methanamine.

Molecular Properties

Compound NameN,N-dimethyl-1-[2-[2-(phenoxymethyl)imidazo[1,2-a]pyrimidin-6-yl]phenyl]methanamine
PubChem CID163445586
Molecular FormulaC22H22N4O
Molecular Weight358.45 g/mol
Exact Mass358.18
IUPAC NameN,N-dimethyl-1-[2-[2-(phenoxymethyl)imidazo[1,2-a]pyrimidin-6-yl]phenyl]methanamine
SMILESCN(C)Cc1ccccc1-c1cnc2nc(COc3ccccc3)cn2c1
InChIInChI=1S/C22H22N4O/c1-25(2)13-17-8-6-7-11-21(17)18-12-23-22-24-19(15-26(22)14-18)16-27-20-9-4-3-5-10-20/h3-12,14-15H,13,16H2,1-2H3
InChIKeyBCFRYPUSBYLXJN-UHFFFAOYSA-N
XLogP4.04
TPSA42.66 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.45
LogP ≤ 54.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N,N-dimethyl-2-[2-(phenoxymethyl)imidazo[1,2-a]pyrimidin-6-yl]aniline
CID 122506581
6-(2-methylphenyl)-2-(phenoxymethyl)imidazo[1,2-a]pyrimidine
CID 122506666
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
6-(6-fluoro-4-methyl-3-pyridinyl)-2-(phenoxymethyl)imidazo[1,2-a]pyrimidine
CID 122506719
4-methyl-3-[2-(phenoxymethyl)imidazo[1,2-a]pyrimidin-6-yl]aniline
CID 122506562
6-(2-methylcyclohexa-1,3-dien-1-yl)-2-(phenoxymethyl)imidazo[1,2-a]pyrimidine
CID 155468144
6-[2-(chloromethyl)-4-fluorophenyl]-2-[(4-fluorophenoxy)methyl]imidazo[1,2-a]pyrimidine
CID 122506754
[5-fluoro-2-[2-[(4-fluorophenoxy)methyl]imidazo[1,2-a]pyrimidin-6-yl]phenyl]methyl carbamate
CID 122506560
6-(2,6-dimethylphenyl)-2-[(4-fluorophenoxy)methyl]imidazo[1,2-a]pyrimidine
CID 122506647
[6-(2-methylphenyl)imidazo[1,2-a]pyrimidin-2-yl]methanamine
CID 117000165
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 N,N-dimethyl-1-[2-[2-(phenoxymethyl)imidazo[1,2-a]pyrimidin-6-yl]phenyl]methanamine?
The IUPAC name of N,N-dimethyl-1-[2-[2-(phenoxymethyl)imidazo[1,2-a]pyrimidin-6-yl]phenyl]methanamine (CID 163445586) is N,N-dimethyl-1-[2-[2-(phenoxymethyl)imidazo[1,2-a]pyrimidin-6-yl]phenyl]methanamine.
What is the SMILES notation for N,N-dimethyl-1-[2-[2-(phenoxymethyl)imidazo[1,2-a]pyrimidin-6-yl]phenyl]methanamine?
The canonical SMILES for N,N-dimethyl-1-[2-[2-(phenoxymethyl)imidazo[1,2-a]pyrimidin-6-yl]phenyl]methanamine is CN(C)Cc1ccccc1-c1cnc2nc(COc3ccccc3)cn2c1.
What is the InChIKey of N,N-dimethyl-1-[2-[2-(phenoxymethyl)imidazo[1,2-a]pyrimidin-6-yl]phenyl]methanamine?
The InChIKey is BCFRYPUSBYLXJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N4O/c1-25(2)13-17-8-6-7-11-21(17)18-12-23-22-24-19(15-26(22)14-18)16-27-20-9-4-3-5-10-20/h3-12,14-15H,13,16H2,1-2H3.
What are the key properties of N,N-dimethyl-1-[2-[2-(phenoxymethyl)imidazo[1,2-a]pyrimidin-6-yl]phenyl]methanamine?
N,N-dimethyl-1-[2-[2-(phenoxymethyl)imidazo[1,2-a]pyrimidin-6-yl]phenyl]methanamine has a molecular weight of 358.45 g/mol, XLogP of 4.04, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-1-[2-[2-(phenoxymethyl)imidazo[1,2-a]pyrimidin-6-yl]phenyl]methanamine is sourced from PubChem (CID 163445586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).