2-(5-bromo-3-pyridinyl)-1-[2-(pyrimidin-2-yloxymethyl)morpholin-4-yl]ethanone

C16H17BrN4O3 — CID 74228366

IUPAC2-(5-bromo-3-pyridinyl)-1-[2-(pyrimidin-2-yloxymethyl)morpholin-4-yl]ethanone
SMILESO=C(Cc1cncc(Br)c1)N1CCOC(COc2ncccn2)C1
InChIInChI=1S/C16H17BrN4O3/c17-13-6-12(8-18-9-13)7-15(22)21-4-5-23-14(10-21)11-24-16-19-2-1-3-20-16/h1-3,6,8-9,14H,4-5,7,10-11H2
InChIKeyGEFHPOVYZOEZTL-UHFFFAOYSA-N
MW393.24 g/mol
LogP1.48
Rot. Bonds5

About 2-(5-bromo-3-pyridinyl)-1-[2-(pyrimidin-2-yloxymethyl)morpholin-4-yl]ethanone

2-(5-bromo-3-pyridinyl)-1-[2-(pyrimidin-2-yloxymethyl)morpholin-4-yl]ethanone (PubChem CID 74228366) has the molecular formula C16H17BrN4O3 and a molecular weight of 393.24 g/mol. Its IUPAC name is 2-(5-bromo-3-pyridinyl)-1-[2-(pyrimidin-2-yloxymethyl)morpholin-4-yl]ethanone.

Molecular Properties

Compound Name2-(5-bromo-3-pyridinyl)-1-[2-(pyrimidin-2-yloxymethyl)morpholin-4-yl]ethanone
PubChem CID74228366
Molecular FormulaC16H17BrN4O3
Molecular Weight393.24 g/mol
Exact Mass392.05
IUPAC Name2-(5-bromo-3-pyridinyl)-1-[2-(pyrimidin-2-yloxymethyl)morpholin-4-yl]ethanone
SMILESO=C(Cc1cncc(Br)c1)N1CCOC(COc2ncccn2)C1
InChIInChI=1S/C16H17BrN4O3/c17-13-6-12(8-18-9-13)7-15(22)21-4-5-23-14(10-21)11-24-16-19-2-1-3-20-16/h1-3,6,8-9,14H,4-5,7,10-11H2
InChIKeyGEFHPOVYZOEZTL-UHFFFAOYSA-N
XLogP1.48
TPSA77.44 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.24
LogP ≤ 51.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N-cyclohexyl-2-(pyrimidin-2-yloxymethyl)morpholine-4-carboxamide
CID 3838021
1-[2-(hydroxymethyl)morpholin-4-yl]-2-pyridin-3-ylethanone
CID 81208117
2-(5-bromo-3-pyridinyl)-1-piperidin-1-ylethanone
CID 18985988
N-(4-methyl-2-pyridinyl)-4-oxo-4-[2-(pyrimidin-2-yloxymethyl)morpholin-4-yl]butanamide
CID 74225435
1-[2-(3-phenylpropyl)morpholin-4-yl]-2-pyridin-3-ylethanone
CID 45214839
3-[3-oxo-3-[2-(pyrimidin-2-yloxymethyl)morpholin-4-yl]propyl]-1,3-benzoxazol-2-one
CID 74225543
2-[4-[2-[3-(pyridin-3-ylmethoxy)phenyl]acetyl]morpholin-2-yl]acetic acid
CID 120527790
2-(3,5-dimethoxyphenyl)-1-[2-[(4-methoxyphenoxy)methyl]morpholin-4-yl]ethanone
CID 46100167
1-[2-[(4-methoxyphenoxy)methyl]morpholin-4-yl]-2-phenylethanone
CID 46041088
1-[2-(aminomethyl)morpholin-4-yl]-2-pyridin-4-ylethanone
CID 56755872
2-(pyrimidin-2-yloxymethyl)-N-(2-thiophen-2-ylethyl)morpholine-4-carboxamide
CID 5009855
methyl 2-[4-(2-pyridin-4-ylacetyl)morpholin-2-yl]acetate
CID 115535926

Frequently Asked Questions

What is the IUPAC name of 2-(5-bromo-3-pyridinyl)-1-[2-(pyrimidin-2-yloxymethyl)morpholin-4-yl]ethanone?
The IUPAC name of 2-(5-bromo-3-pyridinyl)-1-[2-(pyrimidin-2-yloxymethyl)morpholin-4-yl]ethanone (CID 74228366) is 2-(5-bromo-3-pyridinyl)-1-[2-(pyrimidin-2-yloxymethyl)morpholin-4-yl]ethanone.
What is the SMILES notation for 2-(5-bromo-3-pyridinyl)-1-[2-(pyrimidin-2-yloxymethyl)morpholin-4-yl]ethanone?
The canonical SMILES for 2-(5-bromo-3-pyridinyl)-1-[2-(pyrimidin-2-yloxymethyl)morpholin-4-yl]ethanone is O=C(Cc1cncc(Br)c1)N1CCOC(COc2ncccn2)C1.
What is the InChIKey of 2-(5-bromo-3-pyridinyl)-1-[2-(pyrimidin-2-yloxymethyl)morpholin-4-yl]ethanone?
The InChIKey is GEFHPOVYZOEZTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17BrN4O3/c17-13-6-12(8-18-9-13)7-15(22)21-4-5-23-14(10-21)11-24-16-19-2-1-3-20-16/h1-3,6,8-9,14H,4-5,7,10-11H2.
What are the key properties of 2-(5-bromo-3-pyridinyl)-1-[2-(pyrimidin-2-yloxymethyl)morpholin-4-yl]ethanone?
2-(5-bromo-3-pyridinyl)-1-[2-(pyrimidin-2-yloxymethyl)morpholin-4-yl]ethanone has a molecular weight of 393.24 g/mol, XLogP of 1.48, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromo-3-pyridinyl)-1-[2-(pyrimidin-2-yloxymethyl)morpholin-4-yl]ethanone is sourced from PubChem (CID 74228366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).