4-[2-[2-[3-[(5-chlorobenzotriazol-1-yl)methyl]phenyl]pyrimidin-5-yl]oxyethyl]morpholine

C23H23ClN6O2 — CID 58289756

IUPAC4-[2-[2-[3-[(5-chlorobenzotriazol-1-yl)methyl]phenyl]pyrimidin-5-yl]oxyethyl]morpholine
SMILESClc1ccc2c(c1)nnn2Cc1cccc(-c2ncc(OCCN3CCOCC3)cn2)c1
InChIInChI=1S/C23H23ClN6O2/c24-19-4-5-22-21(13-19)27-28-30(22)16-17-2-1-3-18(12-17)23-25-14-20(15-26-23)32-11-8-29-6-9-31-10-7-29/h1-5,12-15H,6-11,16H2
InChIKeyVOXDGMYBKBCNRG-UHFFFAOYSA-N
MW450.93 g/mol
LogP3.30
Rot. Bonds7

About 4-[2-[2-[3-[(5-chlorobenzotriazol-1-yl)methyl]phenyl]pyrimidin-5-yl]oxyethyl]morpholine

4-[2-[2-[3-[(5-chlorobenzotriazol-1-yl)methyl]phenyl]pyrimidin-5-yl]oxyethyl]morpholine (PubChem CID 58289756) has the molecular formula C23H23ClN6O2 and a molecular weight of 450.93 g/mol. Its IUPAC name is 4-[2-[2-[3-[(5-chlorobenzotriazol-1-yl)methyl]phenyl]pyrimidin-5-yl]oxyethyl]morpholine.

Molecular Properties

Compound Name4-[2-[2-[3-[(5-chlorobenzotriazol-1-yl)methyl]phenyl]pyrimidin-5-yl]oxyethyl]morpholine
PubChem CID58289756
Molecular FormulaC23H23ClN6O2
Molecular Weight450.93 g/mol
Exact Mass450.16
IUPAC Name4-[2-[2-[3-[(5-chlorobenzotriazol-1-yl)methyl]phenyl]pyrimidin-5-yl]oxyethyl]morpholine
SMILESClc1ccc2c(c1)nnn2Cc1cccc(-c2ncc(OCCN3CCOCC3)cn2)c1
InChIInChI=1S/C23H23ClN6O2/c24-19-4-5-22-21(13-19)27-28-30(22)16-17-2-1-3-18(12-17)23-25-14-20(15-26-23)32-11-8-29-6-9-31-10-7-29/h1-5,12-15H,6-11,16H2
InChIKeyVOXDGMYBKBCNRG-UHFFFAOYSA-N
XLogP3.30
TPSA78.19 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.93
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 4-[2-[2-[3-[(5-chlorobenzotriazol-1-yl)methyl]phenyl]pyrimidin-5-yl]oxyethyl]morpholine 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

4-[2-[2-[3-(chloromethyl)phenyl]pyrimidin-5-yl]oxyethyl]morpholine;hydrochloride
CID 66985501
4-[2-[2-[3-[(7-fluoro-2,6-dimethylbenzimidazol-1-yl)methyl]phenyl]pyrimidin-5-yl]oxyethyl]morpholine
CID 90937313
3-[1-[[3-[5-(2-morpholin-4-ylethoxy)pyrimidin-2-yl]phenyl]methyl]-6-oxopyridazin-3-yl]benzonitrile
CID 68509959
CID 58289690
CID 58289690
5-bromo-3-N-[[3-[5-(2-morpholin-4-ylethoxy)pyrimidin-2-yl]phenyl]methyl]pyrazine-2,3-diamine
CID 88934760
6-[1-(2-methoxyethyl)pyrazol-4-yl]-2-[[3-[5-(2-morpholin-4-ylethoxy)pyrimidin-2-yl]phenyl]methyl]pyridazin-3-one
CID 46836396
4-[2-[3-[3-[(4-fluorophenyl)methyl]triazolo[4,5-b]pyrazin-5-yl]phenoxy]ethyl]morpholine
CID 11259074
3-[[3-[5-(2-morpholin-4-ylethoxy)pyrimidin-2-yl]phenyl]methyl]-N-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
CID 46833194
4-[2-[2-[3-(chloromethyl)phenyl]pyrimidin-5-yl]oxyethyl]morpholine;N-[[3-[5-(2-morpholin-4-ylethoxy)pyrimidin-2-yl]phenyl]methyl]-2-nitro-5-propylsulfanylaniline;N-[[3-[5-(2-morpholin-4-ylethoxy)pyrimidin-2-yl]phenyl]methyl]-2-nitro-5-propylsulfonylaniline;2-N-[[3-[5-(2-morpholin-4-ylethoxy)pyrimidin-2-yl]phenyl]methyl]-4-propylsulfonylbenzene-1,2-diamine;2-nitro-5-propylsulfanylaniline;4-[2-[2-[3-[(6-propylsulfonylbenzotriazol-1-yl)methyl]phenyl]pyrimidin-5-yl]oxyethyl]morpholine
CID 160986380
4-[2-[4-(1-benzyl-6-chloroimidazo[4,5-b]pyridin-2-yl)phenoxy]ethyl]morpholine
CID 141085119
N-[[3-[5-(2-morpholin-4-ylethoxy)pyrimidin-2-yl]phenyl]methyl]-2-nitro-5-propylsulfanylaniline
CID 58289700
4-[2-[3-(1H-pyrrol-2-yl)phenoxy]ethyl]morpholine
CID 141374478

Frequently Asked Questions

What is the IUPAC name of 4-[2-[2-[3-[(5-chlorobenzotriazol-1-yl)methyl]phenyl]pyrimidin-5-yl]oxyethyl]morpholine?
The IUPAC name of 4-[2-[2-[3-[(5-chlorobenzotriazol-1-yl)methyl]phenyl]pyrimidin-5-yl]oxyethyl]morpholine (CID 58289756) is 4-[2-[2-[3-[(5-chlorobenzotriazol-1-yl)methyl]phenyl]pyrimidin-5-yl]oxyethyl]morpholine.
What is the SMILES notation for 4-[2-[2-[3-[(5-chlorobenzotriazol-1-yl)methyl]phenyl]pyrimidin-5-yl]oxyethyl]morpholine?
The canonical SMILES for 4-[2-[2-[3-[(5-chlorobenzotriazol-1-yl)methyl]phenyl]pyrimidin-5-yl]oxyethyl]morpholine is Clc1ccc2c(c1)nnn2Cc1cccc(-c2ncc(OCCN3CCOCC3)cn2)c1.
What is the InChIKey of 4-[2-[2-[3-[(5-chlorobenzotriazol-1-yl)methyl]phenyl]pyrimidin-5-yl]oxyethyl]morpholine?
The InChIKey is VOXDGMYBKBCNRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23ClN6O2/c24-19-4-5-22-21(13-19)27-28-30(22)16-17-2-1-3-18(12-17)23-25-14-20(15-26-23)32-11-8-29-6-9-31-10-7-29/h1-5,12-15H,6-11,16H2.
What are the key properties of 4-[2-[2-[3-[(5-chlorobenzotriazol-1-yl)methyl]phenyl]pyrimidin-5-yl]oxyethyl]morpholine?
4-[2-[2-[3-[(5-chlorobenzotriazol-1-yl)methyl]phenyl]pyrimidin-5-yl]oxyethyl]morpholine has a molecular weight of 450.93 g/mol, XLogP of 3.30, 7 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[2-[3-[(5-chlorobenzotriazol-1-yl)methyl]phenyl]pyrimidin-5-yl]oxyethyl]morpholine is sourced from PubChem (CID 58289756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).