(2R)-1-[3-[(2-imidazo[1,2-a]pyrimidin-2-ylethylamino)methyl]phenoxy]-3-morpholin-4-ylpropan-2-ol

C22H29N5O3 — CID 28957196

IUPAC(2R)-1-[3-[(2-imidazo[1,2-a]pyrimidin-2-ylethylamino)methyl]phenoxy]-3-morpholin-4-ylpropan-2-ol
SMILESO[C@@H](COc1cccc(CNCCc2cn3cccnc3n2)c1)CN1CCOCC1
InChIInChI=1S/C22H29N5O3/c28-20(16-26-9-11-29-12-10-26)17-30-21-4-1-3-18(13-21)14-23-7-5-19-15-27-8-2-6-24-22(27)25-19/h1-4,6,8,13,15,20,23,28H,5,7,9-12,14,16-17H2/t20-/m1/s1
InChIKeyJOLBTSFZCZURTF-HXUWFJFHSA-N
MW411.51 g/mol
LogP1.13
Rot. Bonds10

About (2R)-1-[3-[(2-imidazo[1,2-a]pyrimidin-2-ylethylamino)methyl]phenoxy]-3-morpholin-4-ylpropan-2-ol

(2R)-1-[3-[(2-imidazo[1,2-a]pyrimidin-2-ylethylamino)methyl]phenoxy]-3-morpholin-4-ylpropan-2-ol (PubChem CID 28957196) has the molecular formula C22H29N5O3 and a molecular weight of 411.51 g/mol. Its IUPAC name is (2R)-1-[3-[(2-imidazo[1,2-a]pyrimidin-2-ylethylamino)methyl]phenoxy]-3-morpholin-4-ylpropan-2-ol.

Molecular Properties

Compound Name(2R)-1-[3-[(2-imidazo[1,2-a]pyrimidin-2-ylethylamino)methyl]phenoxy]-3-morpholin-4-ylpropan-2-ol
PubChem CID28957196
Molecular FormulaC22H29N5O3
Molecular Weight411.51 g/mol
Exact Mass411.23
IUPAC Name(2R)-1-[3-[(2-imidazo[1,2-a]pyrimidin-2-ylethylamino)methyl]phenoxy]-3-morpholin-4-ylpropan-2-ol
SMILESO[C@@H](COc1cccc(CNCCc2cn3cccnc3n2)c1)CN1CCOCC1
InChIInChI=1S/C22H29N5O3/c28-20(16-26-9-11-29-12-10-26)17-30-21-4-1-3-18(13-21)14-23-7-5-19-15-27-8-2-6-24-22(27)25-19/h1-4,6,8,13,15,20,23,28H,5,7,9-12,14,16-17H2/t20-/m1/s1
InChIKeyJOLBTSFZCZURTF-HXUWFJFHSA-N
XLogP1.13
TPSA84.15 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.51
LogP ≤ 51.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze (2R)-1-[3-[(2-imidazo[1,2-a]pyrimidin-2-ylethylamino)methyl]phenoxy]-3-morpholin-4-ylpropan-2-ol with MolForge

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

Launch Full Analysis

Related Compounds

1-morpholin-4-yl-3-[3-[(3-phenylpropylamino)methyl]phenoxy]propan-2-ol
CID 45204618
(2R)-1-(azepan-1-yl)-3-[3-[(2-pyrazin-2-ylethylamino)methyl]phenoxy]propan-2-ol
CID 29029502
(2R)-1-[3-[[(4-methylsulfanylphenyl)methylamino]methyl]phenoxy]-3-morpholin-4-ylpropan-2-ol
CID 30851994
1-[3-(aminomethyl)phenoxy]-3-morpholin-4-ylpropan-2-ol
CID 43253326
(2R)-1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-[(2-morpholin-4-ylethylamino)methyl]phenoxy]propan-2-ol
CID 29028407
(2S)-1-[3-(1,3-dihydroisoindol-2-ylmethyl)phenoxy]-3-morpholin-4-ylpropan-2-ol
CID 97271303
1-[3-[3-[[2-(2-chlorophenyl)ethylamino]methyl]phenoxy]-2-hydroxypropyl]piperidin-4-ol
CID 45205742
1-(azepan-1-yl)-3-[3-(1,4-oxazepan-4-ylmethyl)phenoxy]propan-2-ol
CID 72839922
1-[3-[[ethyl(2-pyrazol-1-ylethyl)amino]methyl]phenoxy]-3-morpholin-4-ylpropan-2-ol
CID 45190478
hydron;1-morpholin-4-yl-3-naphthalen-2-yloxypropan-2-ol;chloride
CID 2999607
1-(3-methoxyphenoxy)-3-morpholin-4-ylpropan-2-ol;hydrochloride
CID 2770236
(2S)-1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-[[2-(1-methylpyrazol-4-yl)ethylamino]methyl]phenoxy]propan-2-ol
CID 25385262

Frequently Asked Questions

What is the IUPAC name of (2R)-1-[3-[(2-imidazo[1,2-a]pyrimidin-2-ylethylamino)methyl]phenoxy]-3-morpholin-4-ylpropan-2-ol?
The IUPAC name of (2R)-1-[3-[(2-imidazo[1,2-a]pyrimidin-2-ylethylamino)methyl]phenoxy]-3-morpholin-4-ylpropan-2-ol (CID 28957196) is (2R)-1-[3-[(2-imidazo[1,2-a]pyrimidin-2-ylethylamino)methyl]phenoxy]-3-morpholin-4-ylpropan-2-ol.
What is the SMILES notation for (2R)-1-[3-[(2-imidazo[1,2-a]pyrimidin-2-ylethylamino)methyl]phenoxy]-3-morpholin-4-ylpropan-2-ol?
The canonical SMILES for (2R)-1-[3-[(2-imidazo[1,2-a]pyrimidin-2-ylethylamino)methyl]phenoxy]-3-morpholin-4-ylpropan-2-ol is O[C@@H](COc1cccc(CNCCc2cn3cccnc3n2)c1)CN1CCOCC1.
What is the InChIKey of (2R)-1-[3-[(2-imidazo[1,2-a]pyrimidin-2-ylethylamino)methyl]phenoxy]-3-morpholin-4-ylpropan-2-ol?
The InChIKey is JOLBTSFZCZURTF-HXUWFJFHSA-N. The full InChI is InChI=1S/C22H29N5O3/c28-20(16-26-9-11-29-12-10-26)17-30-21-4-1-3-18(13-21)14-23-7-5-19-15-27-8-2-6-24-22(27)25-19/h1-4,6,8,13,15,20,23,28H,5,7,9-12,14,16-17H2/t20-/m1/s1.
What are the key properties of (2R)-1-[3-[(2-imidazo[1,2-a]pyrimidin-2-ylethylamino)methyl]phenoxy]-3-morpholin-4-ylpropan-2-ol?
(2R)-1-[3-[(2-imidazo[1,2-a]pyrimidin-2-ylethylamino)methyl]phenoxy]-3-morpholin-4-ylpropan-2-ol has a molecular weight of 411.51 g/mol, XLogP of 1.13, 10 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[3-[(2-imidazo[1,2-a]pyrimidin-2-ylethylamino)methyl]phenoxy]-3-morpholin-4-ylpropan-2-ol is sourced from PubChem (CID 28957196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).