4-[5-[3-[(1R)-1-(3,4-dimethoxyphenyl)ethyl]imidazol-4-yl]pyrimidin-2-yl]morpholine

C21H25N5O3 — CID 92628541

IUPAC4-[5-[3-[(1R)-1-(3,4-dimethoxyphenyl)ethyl]imidazol-4-yl]pyrimidin-2-yl]morpholine
SMILESCOc1ccc([C@@H](C)n2cncc2-c2cnc(N3CCOCC3)nc2)cc1OC
InChIInChI=1S/C21H25N5O3/c1-15(16-4-5-19(27-2)20(10-16)28-3)26-14-22-13-18(26)17-11-23-21(24-12-17)25-6-8-29-9-7-25/h4-5,10-15H,6-9H2,1-3H3/t15-/m1/s1
InChIKeyYSFYJYUKJVNOHL-OAHLLOKOSA-N
MW395.46 g/mol
LogP2.80
Rot. Bonds6

About 4-[5-[3-[(1R)-1-(3,4-dimethoxyphenyl)ethyl]imidazol-4-yl]pyrimidin-2-yl]morpholine

4-[5-[3-[(1R)-1-(3,4-dimethoxyphenyl)ethyl]imidazol-4-yl]pyrimidin-2-yl]morpholine (PubChem CID 92628541) has the molecular formula C21H25N5O3 and a molecular weight of 395.46 g/mol. Its IUPAC name is 4-[5-[3-[(1R)-1-(3,4-dimethoxyphenyl)ethyl]imidazol-4-yl]pyrimidin-2-yl]morpholine.

Molecular Properties

Compound Name4-[5-[3-[(1R)-1-(3,4-dimethoxyphenyl)ethyl]imidazol-4-yl]pyrimidin-2-yl]morpholine
PubChem CID92628541
Molecular FormulaC21H25N5O3
Molecular Weight395.46 g/mol
Exact Mass395.20
IUPAC Name4-[5-[3-[(1R)-1-(3,4-dimethoxyphenyl)ethyl]imidazol-4-yl]pyrimidin-2-yl]morpholine
SMILESCOc1ccc([C@@H](C)n2cncc2-c2cnc(N3CCOCC3)nc2)cc1OC
InChIInChI=1S/C21H25N5O3/c1-15(16-4-5-19(27-2)20(10-16)28-3)26-14-22-13-18(26)17-11-23-21(24-12-17)25-6-8-29-9-7-25/h4-5,10-15H,6-9H2,1-3H3/t15-/m1/s1
InChIKeyYSFYJYUKJVNOHL-OAHLLOKOSA-N
XLogP2.80
TPSA74.53 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.46
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

4-[5-[3-[2-(4-methoxy-3-methylphenyl)ethyl]imidazol-4-yl]pyrimidin-2-yl]morpholine
CID 46980394
(2R)-3-[4-(dimethylamino)phenyl]-2-[5-(2-morpholin-4-ylpyrimidin-5-yl)imidazol-1-yl]propan-1-ol
CID 92628526
(2S)-3-[4-(dimethylamino)phenyl]-2-[5-(2-morpholin-4-ylpyrimidin-5-yl)imidazol-1-yl]propan-1-ol
CID 92628525
4-[5-[3-(3-piperidin-1-ylpropyl)imidazol-4-yl]pyrimidin-2-yl]morpholine
CID 46980393
1-[3-(3,4-dimethoxyphenyl)pyrazol-1-yl]-2-methoxy-2-(4-morpholin-4-ylphenyl)ethanone
CID 58432015
1-[(1R)-1-(3,4-dimethoxyphenyl)ethyl]piperazine
CID 28798624
4-methoxy-5-(2-morpholin-4-ylpyrimidin-5-yl)-2-[(3S,5R)-3,4,5-trimethylpiperazin-1-yl]aniline
CID 138541974
4-methoxy-5-(2-morpholin-4-ylpyrimidin-5-yl)-2-(3,4,5-trimethylpiperazin-1-yl)aniline
CID 138541975
4-[(2R)-2-[5-(7-methoxy-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)imidazol-1-yl]propyl]morpholine
CID 92628912
4-[5-(5-methoxy-2-piperazin-1-ylphenyl)pyrimidin-2-yl]morpholine
CID 91059537
2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylacetonitrile
CID 10945240
4-[2-[5-(7-methoxy-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)imidazol-1-yl]propyl]morpholine;hydrochloride
CID 171667753

Frequently Asked Questions

What is the IUPAC name of 4-[5-[3-[(1R)-1-(3,4-dimethoxyphenyl)ethyl]imidazol-4-yl]pyrimidin-2-yl]morpholine?
The IUPAC name of 4-[5-[3-[(1R)-1-(3,4-dimethoxyphenyl)ethyl]imidazol-4-yl]pyrimidin-2-yl]morpholine (CID 92628541) is 4-[5-[3-[(1R)-1-(3,4-dimethoxyphenyl)ethyl]imidazol-4-yl]pyrimidin-2-yl]morpholine.
What is the SMILES notation for 4-[5-[3-[(1R)-1-(3,4-dimethoxyphenyl)ethyl]imidazol-4-yl]pyrimidin-2-yl]morpholine?
The canonical SMILES for 4-[5-[3-[(1R)-1-(3,4-dimethoxyphenyl)ethyl]imidazol-4-yl]pyrimidin-2-yl]morpholine is COc1ccc([C@@H](C)n2cncc2-c2cnc(N3CCOCC3)nc2)cc1OC.
What is the InChIKey of 4-[5-[3-[(1R)-1-(3,4-dimethoxyphenyl)ethyl]imidazol-4-yl]pyrimidin-2-yl]morpholine?
The InChIKey is YSFYJYUKJVNOHL-OAHLLOKOSA-N. The full InChI is InChI=1S/C21H25N5O3/c1-15(16-4-5-19(27-2)20(10-16)28-3)26-14-22-13-18(26)17-11-23-21(24-12-17)25-6-8-29-9-7-25/h4-5,10-15H,6-9H2,1-3H3/t15-/m1/s1.
What are the key properties of 4-[5-[3-[(1R)-1-(3,4-dimethoxyphenyl)ethyl]imidazol-4-yl]pyrimidin-2-yl]morpholine?
4-[5-[3-[(1R)-1-(3,4-dimethoxyphenyl)ethyl]imidazol-4-yl]pyrimidin-2-yl]morpholine has a molecular weight of 395.46 g/mol, XLogP of 2.80, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-[3-[(1R)-1-(3,4-dimethoxyphenyl)ethyl]imidazol-4-yl]pyrimidin-2-yl]morpholine is sourced from PubChem (CID 92628541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).