4-[5-[3-[2-(4-methoxy-3-methylphenyl)ethyl]imidazol-4-yl]pyrimidin-2-yl]morpholine

C21H25N5O2 — CID 46980394

IUPAC4-[5-[3-[2-(4-methoxy-3-methylphenyl)ethyl]imidazol-4-yl]pyrimidin-2-yl]morpholine
SMILESCOc1ccc(CCn2cncc2-c2cnc(N3CCOCC3)nc2)cc1C
InChIInChI=1S/C21H25N5O2/c1-16-11-17(3-4-20(16)27-2)5-6-26-15-22-14-19(26)18-12-23-21(24-13-18)25-7-9-28-10-8-25/h3-4,11-15H,5-10H2,1-2H3
InChIKeyKKPUZDAXHPTZPL-UHFFFAOYSA-N
MW379.46 g/mol
LogP2.74
Rot. Bonds6

About 4-[5-[3-[2-(4-methoxy-3-methylphenyl)ethyl]imidazol-4-yl]pyrimidin-2-yl]morpholine

4-[5-[3-[2-(4-methoxy-3-methylphenyl)ethyl]imidazol-4-yl]pyrimidin-2-yl]morpholine (PubChem CID 46980394) has the molecular formula C21H25N5O2 and a molecular weight of 379.46 g/mol. Its IUPAC name is 4-[5-[3-[2-(4-methoxy-3-methylphenyl)ethyl]imidazol-4-yl]pyrimidin-2-yl]morpholine.

Molecular Properties

Compound Name4-[5-[3-[2-(4-methoxy-3-methylphenyl)ethyl]imidazol-4-yl]pyrimidin-2-yl]morpholine
PubChem CID46980394
Molecular FormulaC21H25N5O2
Molecular Weight379.46 g/mol
Exact Mass379.20
IUPAC Name4-[5-[3-[2-(4-methoxy-3-methylphenyl)ethyl]imidazol-4-yl]pyrimidin-2-yl]morpholine
SMILESCOc1ccc(CCn2cncc2-c2cnc(N3CCOCC3)nc2)cc1C
InChIInChI=1S/C21H25N5O2/c1-16-11-17(3-4-20(16)27-2)5-6-26-15-22-14-19(26)18-12-23-21(24-13-18)25-7-9-28-10-8-25/h3-4,11-15H,5-10H2,1-2H3
InChIKeyKKPUZDAXHPTZPL-UHFFFAOYSA-N
XLogP2.74
TPSA65.30 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.46
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 4-[5-[3-[2-(4-methoxy-3-methylphenyl)ethyl]imidazol-4-yl]pyrimidin-2-yl]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-[5-[3-[(1R)-1-(3,4-dimethoxyphenyl)ethyl]imidazol-4-yl]pyrimidin-2-yl]morpholine
CID 92628541
4-[5-[3-(3-piperidin-1-ylpropyl)imidazol-4-yl]pyrimidin-2-yl]morpholine
CID 46980393
N-[2-(3,4-dimethoxyphenyl)ethyl]-4-methyl-2-morpholin-4-ylpyrimidine-5-carboxamide
CID 66505704
(2S)-3-[4-(dimethylamino)phenyl]-2-[5-(2-morpholin-4-ylpyrimidin-5-yl)imidazol-1-yl]propan-1-ol
CID 92628525
(2R)-3-[4-(dimethylamino)phenyl]-2-[5-(2-morpholin-4-ylpyrimidin-5-yl)imidazol-1-yl]propan-1-ol
CID 92628526
2-[2-(4-methoxy-3-methylphenyl)ethyl]-1,2-thiazolidine 1,1-dioxide
CID 82134337
N-[(3,4-dimethoxyphenyl)methyl]-N-[(2-morpholin-4-ylpyrimidin-5-yl)methyl]-1-[(2S)-oxolan-2-yl]methanamine
CID 92597912
2-methoxy-4-(2-morpholin-4-ylethyl)aniline
CID 57416115
4-[2-[2-methoxy-6-[(4-methoxy-3-methylphenyl)methyl]phenoxy]ethyl]morpholine
CID 137342586
2-(4-methoxy-3-methylphenyl)-1-[4-(5-morpholin-4-ylpyridazin-3-yl)piperazin-1-yl]ethanone
CID 122355410
2-(2-methoxyphenyl)-N-[(2-morpholin-4-ylpyrimidin-5-yl)methyl]ethanamine
CID 87011453
4-[3-[3-methoxy-4-(2-morpholin-4-ylethoxy)phenyl]propyl]morpholine
CID 170870265

Frequently Asked Questions

What is the IUPAC name of 4-[5-[3-[2-(4-methoxy-3-methylphenyl)ethyl]imidazol-4-yl]pyrimidin-2-yl]morpholine?
The IUPAC name of 4-[5-[3-[2-(4-methoxy-3-methylphenyl)ethyl]imidazol-4-yl]pyrimidin-2-yl]morpholine (CID 46980394) is 4-[5-[3-[2-(4-methoxy-3-methylphenyl)ethyl]imidazol-4-yl]pyrimidin-2-yl]morpholine.
What is the SMILES notation for 4-[5-[3-[2-(4-methoxy-3-methylphenyl)ethyl]imidazol-4-yl]pyrimidin-2-yl]morpholine?
The canonical SMILES for 4-[5-[3-[2-(4-methoxy-3-methylphenyl)ethyl]imidazol-4-yl]pyrimidin-2-yl]morpholine is COc1ccc(CCn2cncc2-c2cnc(N3CCOCC3)nc2)cc1C.
What is the InChIKey of 4-[5-[3-[2-(4-methoxy-3-methylphenyl)ethyl]imidazol-4-yl]pyrimidin-2-yl]morpholine?
The InChIKey is KKPUZDAXHPTZPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N5O2/c1-16-11-17(3-4-20(16)27-2)5-6-26-15-22-14-19(26)18-12-23-21(24-13-18)25-7-9-28-10-8-25/h3-4,11-15H,5-10H2,1-2H3.
What are the key properties of 4-[5-[3-[2-(4-methoxy-3-methylphenyl)ethyl]imidazol-4-yl]pyrimidin-2-yl]morpholine?
4-[5-[3-[2-(4-methoxy-3-methylphenyl)ethyl]imidazol-4-yl]pyrimidin-2-yl]morpholine has a molecular weight of 379.46 g/mol, XLogP of 2.74, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-[3-[2-(4-methoxy-3-methylphenyl)ethyl]imidazol-4-yl]pyrimidin-2-yl]morpholine is sourced from PubChem (CID 46980394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).