2-phenoxy-1-[2-(5-pyrimidin-5-yl-2-pyridinyl)morpholin-4-yl]ethanone

C21H20N4O3 — CID 127250284

IUPAC2-phenoxy-1-[2-(5-pyrimidin-5-yl-2-pyridinyl)morpholin-4-yl]ethanone
SMILESO=C(COc1ccccc1)N1CCOC(c2ccc(-c3cncnc3)cn2)C1
InChIInChI=1S/C21H20N4O3/c26-21(14-28-18-4-2-1-3-5-18)25-8-9-27-20(13-25)19-7-6-16(12-24-19)17-10-22-15-23-11-17/h1-7,10-12,15,20H,8-9,13-14H2
InChIKeyILCJDPZUQVIARS-UHFFFAOYSA-N
MW376.42 g/mol
LogP2.52
Rot. Bonds5

About 2-phenoxy-1-[2-(5-pyrimidin-5-yl-2-pyridinyl)morpholin-4-yl]ethanone

2-phenoxy-1-[2-(5-pyrimidin-5-yl-2-pyridinyl)morpholin-4-yl]ethanone (PubChem CID 127250284) has the molecular formula C21H20N4O3 and a molecular weight of 376.42 g/mol. Its IUPAC name is 2-phenoxy-1-[2-(5-pyrimidin-5-yl-2-pyridinyl)morpholin-4-yl]ethanone.

Molecular Properties

Compound Name2-phenoxy-1-[2-(5-pyrimidin-5-yl-2-pyridinyl)morpholin-4-yl]ethanone
PubChem CID127250284
Molecular FormulaC21H20N4O3
Molecular Weight376.42 g/mol
Exact Mass376.15
IUPAC Name2-phenoxy-1-[2-(5-pyrimidin-5-yl-2-pyridinyl)morpholin-4-yl]ethanone
SMILESO=C(COc1ccccc1)N1CCOC(c2ccc(-c3cncnc3)cn2)C1
InChIInChI=1S/C21H20N4O3/c26-21(14-28-18-4-2-1-3-5-18)25-8-9-27-20(13-25)19-7-6-16(12-24-19)17-10-22-15-23-11-17/h1-7,10-12,15,20H,8-9,13-14H2
InChIKeyILCJDPZUQVIARS-UHFFFAOYSA-N
XLogP2.52
TPSA77.44 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.42
LogP ≤ 52.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-(4-methoxyphenoxy)-1-[(2S)-2-phenylmorpholin-4-yl]ethanone
CID 25281339
2-(4-methoxyphenoxy)-1-[(2R)-2-phenylmorpholin-4-yl]ethanone
CID 25281342
3-phenoxy-1-[(2R)-2-pyrazin-2-ylmorpholin-4-yl]propan-1-one
CID 124947678
2-[4-(2-phenoxyacetyl)morpholin-2-yl]acetic acid
CID 66421533
4-[2-oxo-2-[(2R)-2-phenylmorpholin-4-yl]ethoxy]benzamide
CID 94796760
2-(2-phenoxyethoxy)-1-[(2S)-2-phenylmorpholin-4-yl]ethanone
CID 97015199
2-(2-fluorophenoxy)-1-[(2R)-2-(5-methyl-2-pyridinyl)morpholin-4-yl]ethanone
CID 124977367
1-[2-[5-(3-chlorophenyl)-2-pyridinyl]morpholin-4-yl]-3-phenylpropan-1-one
CID 127252242
2-(4-fluorophenoxy)-1-[2-(2-fluorophenyl)morpholin-4-yl]ethanone
CID 110663787
phenyl-[(2S)-2-(6-pyrimidin-5-yl-2-pyridinyl)morpholin-4-yl]methanone
CID 124940424
1-[(2R)-2-[3-(dimethylamino)pyrazin-2-yl]morpholin-4-yl]-2-pyridin-3-yloxyethanone
CID 124955840
1-[2-[6-(dimethylamino)-2-pyridinyl]morpholin-4-yl]-2-pyridin-3-yloxyethanone
CID 110112558

Frequently Asked Questions

What is the IUPAC name of 2-phenoxy-1-[2-(5-pyrimidin-5-yl-2-pyridinyl)morpholin-4-yl]ethanone?
The IUPAC name of 2-phenoxy-1-[2-(5-pyrimidin-5-yl-2-pyridinyl)morpholin-4-yl]ethanone (CID 127250284) is 2-phenoxy-1-[2-(5-pyrimidin-5-yl-2-pyridinyl)morpholin-4-yl]ethanone.
What is the SMILES notation for 2-phenoxy-1-[2-(5-pyrimidin-5-yl-2-pyridinyl)morpholin-4-yl]ethanone?
The canonical SMILES for 2-phenoxy-1-[2-(5-pyrimidin-5-yl-2-pyridinyl)morpholin-4-yl]ethanone is O=C(COc1ccccc1)N1CCOC(c2ccc(-c3cncnc3)cn2)C1.
What is the InChIKey of 2-phenoxy-1-[2-(5-pyrimidin-5-yl-2-pyridinyl)morpholin-4-yl]ethanone?
The InChIKey is ILCJDPZUQVIARS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N4O3/c26-21(14-28-18-4-2-1-3-5-18)25-8-9-27-20(13-25)19-7-6-16(12-24-19)17-10-22-15-23-11-17/h1-7,10-12,15,20H,8-9,13-14H2.
What are the key properties of 2-phenoxy-1-[2-(5-pyrimidin-5-yl-2-pyridinyl)morpholin-4-yl]ethanone?
2-phenoxy-1-[2-(5-pyrimidin-5-yl-2-pyridinyl)morpholin-4-yl]ethanone has a molecular weight of 376.42 g/mol, XLogP of 2.52, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenoxy-1-[2-(5-pyrimidin-5-yl-2-pyridinyl)morpholin-4-yl]ethanone is sourced from PubChem (CID 127250284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).