5-bromo-2-[2-(2-methoxyethoxy)ethyl]-1H-pyrimidin-6-one

C9H13BrN2O3 — CID 102927183

IUPAC5-bromo-2-[2-(2-methoxyethoxy)ethyl]-1H-pyrimidin-6-one
SMILESCOCCOCCc1ncc(Br)c(=O)[nH]1
InChIInChI=1S/C9H13BrN2O3/c1-14-4-5-15-3-2-8-11-6-7(10)9(13)12-8/h6H,2-5H2,1H3,(H,11,12,13)
InChIKeyMHGLMVGRXMUTGJ-UHFFFAOYSA-N
MW277.12 g/mol
LogP0.74
Rot. Bonds6

About 5-bromo-2-[2-(2-methoxyethoxy)ethyl]-1H-pyrimidin-6-one

5-bromo-2-[2-(2-methoxyethoxy)ethyl]-1H-pyrimidin-6-one (PubChem CID 102927183) has the molecular formula C9H13BrN2O3 and a molecular weight of 277.12 g/mol. Its IUPAC name is 5-bromo-2-[2-(2-methoxyethoxy)ethyl]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-bromo-2-[2-(2-methoxyethoxy)ethyl]-1H-pyrimidin-6-one
PubChem CID102927183
Molecular FormulaC9H13BrN2O3
Molecular Weight277.12 g/mol
Exact Mass276.01
IUPAC Name5-bromo-2-[2-(2-methoxyethoxy)ethyl]-1H-pyrimidin-6-one
SMILESCOCCOCCc1ncc(Br)c(=O)[nH]1
InChIInChI=1S/C9H13BrN2O3/c1-14-4-5-15-3-2-8-11-6-7(10)9(13)12-8/h6H,2-5H2,1H3,(H,11,12,13)
InChIKeyMHGLMVGRXMUTGJ-UHFFFAOYSA-N
XLogP0.74
TPSA64.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.12
LogP ≤ 50.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5-bromo-2-[2-(2,2-difluoroethoxy)ethyl]-1H-pyrimidin-6-one
CID 103146644
5-bromo-2-[2-(2,2,2-trifluoroethoxy)ethyl]-1H-pyrimidin-6-one
CID 103146645
5-Bromo-3-(3-ethoxypropyl)-2-methylpyrimidin-4-one
CID 66310506
5-Bromo-3-[2-(3-ethoxypropylamino)ethyl]-2-methylpyrimidin-4-one
CID 66310747
5-bromo-2-(1,4-dioxan-2-yl)-1H-pyrimidin-6-one
CID 66314491
5-bromo-2-(propoxymethyl)-1H-pyrimidin-6-one
CID 66314911
5-Bromo-2-(2-methoxyethyl)pyrimidin-4-ol
CID 66315329
5-bromo-2-(3-methoxypropyl)-1H-pyrimidin-6-one
CID 66315537
5-bromo-2-(1-ethoxyethyl)-1H-pyrimidin-6-one
CID 66316362
5-Bromo-2-(ethoxymethyl)pyrimidin-4-ol
CID 66316575
2-[2-(2-methoxyethoxy)ethyl]-1H-pyrimidin-6-one
CID 102927147
5-bromo-4-hydroxy-2-[2-(2-methoxyethoxy)ethyl]-1H-pyrimidin-6-one
CID 102927169

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-[2-(2-methoxyethoxy)ethyl]-1H-pyrimidin-6-one?
The IUPAC name of 5-bromo-2-[2-(2-methoxyethoxy)ethyl]-1H-pyrimidin-6-one (CID 102927183) is 5-bromo-2-[2-(2-methoxyethoxy)ethyl]-1H-pyrimidin-6-one.
What is the SMILES notation for 5-bromo-2-[2-(2-methoxyethoxy)ethyl]-1H-pyrimidin-6-one?
The canonical SMILES for 5-bromo-2-[2-(2-methoxyethoxy)ethyl]-1H-pyrimidin-6-one is COCCOCCc1ncc(Br)c(=O)[nH]1.
What is the InChIKey of 5-bromo-2-[2-(2-methoxyethoxy)ethyl]-1H-pyrimidin-6-one?
The InChIKey is MHGLMVGRXMUTGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13BrN2O3/c1-14-4-5-15-3-2-8-11-6-7(10)9(13)12-8/h6H,2-5H2,1H3,(H,11,12,13).
What are the key properties of 5-bromo-2-[2-(2-methoxyethoxy)ethyl]-1H-pyrimidin-6-one?
5-bromo-2-[2-(2-methoxyethoxy)ethyl]-1H-pyrimidin-6-one has a molecular weight of 277.12 g/mol, XLogP of 0.74, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-[2-(2-methoxyethoxy)ethyl]-1H-pyrimidin-6-one is sourced from PubChem (CID 102927183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).