5-bromo-4-hydroxy-2-[2-(2-methoxyethoxy)ethyl]-1H-pyrimidin-6-one

C9H13BrN2O4 — CID 102927169

IUPAC5-bromo-4-hydroxy-2-[2-(2-methoxyethoxy)ethyl]-1H-pyrimidin-6-one
SMILESCOCCOCCc1nc(O)c(Br)c(=O)[nH]1
InChIInChI=1S/C9H13BrN2O4/c1-15-4-5-16-3-2-6-11-8(13)7(10)9(14)12-6/h2-5H2,1H3,(H2,11,12,13,14)
InChIKeyWHDJONZCAXRJTJ-UHFFFAOYSA-N
MW293.12 g/mol
LogP0.44
Rot. Bonds6

About 5-bromo-4-hydroxy-2-[2-(2-methoxyethoxy)ethyl]-1H-pyrimidin-6-one

5-bromo-4-hydroxy-2-[2-(2-methoxyethoxy)ethyl]-1H-pyrimidin-6-one (PubChem CID 102927169) has the molecular formula C9H13BrN2O4 and a molecular weight of 293.12 g/mol. Its IUPAC name is 5-bromo-4-hydroxy-2-[2-(2-methoxyethoxy)ethyl]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-bromo-4-hydroxy-2-[2-(2-methoxyethoxy)ethyl]-1H-pyrimidin-6-one
PubChem CID102927169
Molecular FormulaC9H13BrN2O4
Molecular Weight293.12 g/mol
Exact Mass292.01
IUPAC Name5-bromo-4-hydroxy-2-[2-(2-methoxyethoxy)ethyl]-1H-pyrimidin-6-one
SMILESCOCCOCCc1nc(O)c(Br)c(=O)[nH]1
InChIInChI=1S/C9H13BrN2O4/c1-15-4-5-16-3-2-6-11-8(13)7(10)9(14)12-6/h2-5H2,1H3,(H2,11,12,13,14)
InChIKeyWHDJONZCAXRJTJ-UHFFFAOYSA-N
XLogP0.44
TPSA84.44 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.12
LogP ≤ 50.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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]-4-hydroxy-1H-pyrimidin-6-one
CID 103146619
5-bromo-4-hydroxy-2-[2-(2,2,2-trifluoroethoxy)ethyl]-1H-pyrimidin-6-one
CID 103146620
5-bromo-4-hydroxy-2-(3-methoxypropyl)-1H-pyrimidin-6-one
CID 66284567
5-bromo-2-(1,4-dioxan-2-yl)-4-hydroxy-1H-pyrimidin-6-one
CID 66284748
5-bromo-4-hydroxy-2-(propoxymethyl)-1H-pyrimidin-6-one
CID 66285557
5-bromo-4-hydroxy-2-(2-methoxyethyl)-1H-pyrimidin-6-one
CID 66285964
5-bromo-2-(1-ethoxyethyl)-4-hydroxy-1H-pyrimidin-6-one
CID 66286972
4-hydroxy-2-[2-(2-methoxyethoxy)ethyl]-1H-pyrimidin-6-one
CID 102927163
4-hydroxy-2-[2-(2-methoxyethoxy)ethyl]-5-methyl-1H-pyrimidin-6-one
CID 102927164
4-hydroxy-5-iodo-2-[2-(2-methoxyethoxy)ethyl]-1H-pyrimidin-6-one
CID 102927170
5-bromo-2-[2-(2-methoxyethoxy)ethyl]-1H-pyrimidin-6-one
CID 102927183
5-bromo-4-hydroxy-2-(2-methoxypropyl)-1H-pyrimidin-6-one
CID 104249139

Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-hydroxy-2-[2-(2-methoxyethoxy)ethyl]-1H-pyrimidin-6-one?
The IUPAC name of 5-bromo-4-hydroxy-2-[2-(2-methoxyethoxy)ethyl]-1H-pyrimidin-6-one (CID 102927169) is 5-bromo-4-hydroxy-2-[2-(2-methoxyethoxy)ethyl]-1H-pyrimidin-6-one.
What is the SMILES notation for 5-bromo-4-hydroxy-2-[2-(2-methoxyethoxy)ethyl]-1H-pyrimidin-6-one?
The canonical SMILES for 5-bromo-4-hydroxy-2-[2-(2-methoxyethoxy)ethyl]-1H-pyrimidin-6-one is COCCOCCc1nc(O)c(Br)c(=O)[nH]1.
What is the InChIKey of 5-bromo-4-hydroxy-2-[2-(2-methoxyethoxy)ethyl]-1H-pyrimidin-6-one?
The InChIKey is WHDJONZCAXRJTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13BrN2O4/c1-15-4-5-16-3-2-6-11-8(13)7(10)9(14)12-6/h2-5H2,1H3,(H2,11,12,13,14).
What are the key properties of 5-bromo-4-hydroxy-2-[2-(2-methoxyethoxy)ethyl]-1H-pyrimidin-6-one?
5-bromo-4-hydroxy-2-[2-(2-methoxyethoxy)ethyl]-1H-pyrimidin-6-one has a molecular weight of 293.12 g/mol, XLogP of 0.44, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-hydroxy-2-[2-(2-methoxyethoxy)ethyl]-1H-pyrimidin-6-one is sourced from PubChem (CID 102927169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).