5-bromo-2-(1,4-dioxan-2-yl)-4-hydroxy-1H-pyrimidin-6-one

C8H9BrN2O4 — CID 66284748

IUPAC5-bromo-2-(1,4-dioxan-2-yl)-4-hydroxy-1H-pyrimidin-6-one
SMILESO=c1[nH]c(C2COCCO2)nc(O)c1Br
InChIInChI=1S/C8H9BrN2O4/c9-5-7(12)10-6(11-8(5)13)4-3-14-1-2-15-4/h4H,1-3H2,(H2,10,11,12,13)
InChIKeyAHOPJRSCWXVILM-UHFFFAOYSA-N
MW277.07 g/mol
LogP0.33
Rot. Bonds1

About 5-bromo-2-(1,4-dioxan-2-yl)-4-hydroxy-1H-pyrimidin-6-one

5-bromo-2-(1,4-dioxan-2-yl)-4-hydroxy-1H-pyrimidin-6-one (PubChem CID 66284748) has the molecular formula C8H9BrN2O4 and a molecular weight of 277.07 g/mol. Its IUPAC name is 5-bromo-2-(1,4-dioxan-2-yl)-4-hydroxy-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-bromo-2-(1,4-dioxan-2-yl)-4-hydroxy-1H-pyrimidin-6-one
PubChem CID66284748
Molecular FormulaC8H9BrN2O4
Molecular Weight277.07 g/mol
Exact Mass275.97
IUPAC Name5-bromo-2-(1,4-dioxan-2-yl)-4-hydroxy-1H-pyrimidin-6-one
SMILESO=c1[nH]c(C2COCCO2)nc(O)c1Br
InChIInChI=1S/C8H9BrN2O4/c9-5-7(12)10-6(11-8(5)13)4-3-14-1-2-15-4/h4H,1-3H2,(H2,10,11,12,13)
InChIKeyAHOPJRSCWXVILM-UHFFFAOYSA-N
XLogP0.33
TPSA84.44 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.07
LogP ≤ 50.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(1,4-dioxan-2-yl)-4-hydroxy-1H-pyrimidin-6-one
CID 65351154
2-(1,4-dioxan-2-yl)-4-hydroxy-5-methyl-1H-pyrimidin-6-one
CID 65351208
2-(1,4-dioxan-2-yl)-4-hydroxy-5-iodo-1H-pyrimidin-6-one
CID 66285780
5-bromo-2-(1-ethoxyethyl)-4-hydroxy-1H-pyrimidin-6-one
CID 66286972
5-bromo-2-(1,4-dioxan-2-yl)-1H-pyrimidin-6-one
CID 66314491
5-bromo-4-hydroxy-2-(4-methylmorpholin-2-yl)-1H-pyrimidin-6-one
CID 79076972
5-bromo-4-hydroxy-2-(1-methoxyethyl)-1H-pyrimidin-6-one
CID 79617475
5-bromo-2-(4-ethylmorpholin-2-yl)-4-hydroxy-1H-pyrimidin-6-one
CID 79667083
5-bromo-4-hydroxy-2-[2-(2-methoxyethoxy)ethyl]-1H-pyrimidin-6-one
CID 102927169
5-bromo-2-(1-ethoxy-2-methylpropyl)-4-hydroxy-1H-pyrimidin-6-one
CID 116705749
5-bromo-4-hydroxy-2-(1-methoxypropyl)-1H-pyrimidin-6-one
CID 116705751
5-bromo-2-(1-ethoxybutyl)-4-hydroxy-1H-pyrimidin-6-one
CID 116705752

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-(1,4-dioxan-2-yl)-4-hydroxy-1H-pyrimidin-6-one?
The IUPAC name of 5-bromo-2-(1,4-dioxan-2-yl)-4-hydroxy-1H-pyrimidin-6-one (CID 66284748) is 5-bromo-2-(1,4-dioxan-2-yl)-4-hydroxy-1H-pyrimidin-6-one.
What is the SMILES notation for 5-bromo-2-(1,4-dioxan-2-yl)-4-hydroxy-1H-pyrimidin-6-one?
The canonical SMILES for 5-bromo-2-(1,4-dioxan-2-yl)-4-hydroxy-1H-pyrimidin-6-one is O=c1[nH]c(C2COCCO2)nc(O)c1Br.
What is the InChIKey of 5-bromo-2-(1,4-dioxan-2-yl)-4-hydroxy-1H-pyrimidin-6-one?
The InChIKey is AHOPJRSCWXVILM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9BrN2O4/c9-5-7(12)10-6(11-8(5)13)4-3-14-1-2-15-4/h4H,1-3H2,(H2,10,11,12,13).
What are the key properties of 5-bromo-2-(1,4-dioxan-2-yl)-4-hydroxy-1H-pyrimidin-6-one?
5-bromo-2-(1,4-dioxan-2-yl)-4-hydroxy-1H-pyrimidin-6-one has a molecular weight of 277.07 g/mol, XLogP of 0.33, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-(1,4-dioxan-2-yl)-4-hydroxy-1H-pyrimidin-6-one is sourced from PubChem (CID 66284748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).