5-bromo-2-(5-methyloxolan-2-yl)-1H-pyrimidin-6-one

C9H11BrN2O2 — CID 82837856

IUPAC5-bromo-2-(5-methyloxolan-2-yl)-1H-pyrimidin-6-one
SMILESCC1CCC(c2ncc(Br)c(=O)[nH]2)O1
InChIInChI=1S/C9H11BrN2O2/c1-5-2-3-7(14-5)8-11-4-6(10)9(13)12-8/h4-5,7H,2-3H2,1H3,(H,11,12,13)
InChIKeyCGTFHWITRGDYES-UHFFFAOYSA-N
MW259.10 g/mol
LogP1.77
Rot. Bonds1

About 5-bromo-2-(5-methyloxolan-2-yl)-1H-pyrimidin-6-one

5-bromo-2-(5-methyloxolan-2-yl)-1H-pyrimidin-6-one (PubChem CID 82837856) has the molecular formula C9H11BrN2O2 and a molecular weight of 259.10 g/mol. Its IUPAC name is 5-bromo-2-(5-methyloxolan-2-yl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-bromo-2-(5-methyloxolan-2-yl)-1H-pyrimidin-6-one
PubChem CID82837856
Molecular FormulaC9H11BrN2O2
Molecular Weight259.10 g/mol
Exact Mass258.00
IUPAC Name5-bromo-2-(5-methyloxolan-2-yl)-1H-pyrimidin-6-one
SMILESCC1CCC(c2ncc(Br)c(=O)[nH]2)O1
InChIInChI=1S/C9H11BrN2O2/c1-5-2-3-7(14-5)8-11-4-6(10)9(13)12-8/h4-5,7H,2-3H2,1H3,(H,11,12,13)
InChIKeyCGTFHWITRGDYES-UHFFFAOYSA-N
XLogP1.77
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.10
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(Oxolan-2-yl)pyrimidin-4-ol
CID 65331461
5-bromo-4-hydroxy-2-(oxolan-2-yl)-1H-pyrimidin-6-one
CID 66285757
5-Bromo-2-methyl-3-[2-(oxolan-2-ylmethylamino)ethyl]pyrimidin-4-one
CID 66307991
5-Bromo-2-methyl-3-[2-[1-(oxolan-2-yl)ethylamino]ethyl]pyrimidin-4-one
CID 66308616
5-Bromo-2-methyl-3-(oxolan-2-ylmethyl)pyrimidin-4-one
CID 66310298
5-iodo-2-(oxolan-2-yl)-1H-pyrimidin-6-one
CID 66314923
5-bromo-2-(oxolan-2-ylmethyl)-1H-pyrimidin-6-one
CID 66315115
5-Bromo-2-(oxolan-2-yl)pyrimidin-4-ol
CID 66315120
5-bromo-2-(1-ethoxyethyl)-1H-pyrimidin-6-one
CID 66316362
5-bromo-2-(2-methyloxolan-2-yl)-1H-pyrimidin-6-one
CID 80167301
5-bromo-4-hydroxy-2-(5-methyloxolan-2-yl)-1H-pyrimidin-6-one
CID 82836954
2-(5-methyloxolan-2-yl)-1H-pyrimidin-6-one
CID 82837620

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-(5-methyloxolan-2-yl)-1H-pyrimidin-6-one?
The IUPAC name of 5-bromo-2-(5-methyloxolan-2-yl)-1H-pyrimidin-6-one (CID 82837856) is 5-bromo-2-(5-methyloxolan-2-yl)-1H-pyrimidin-6-one.
What is the SMILES notation for 5-bromo-2-(5-methyloxolan-2-yl)-1H-pyrimidin-6-one?
The canonical SMILES for 5-bromo-2-(5-methyloxolan-2-yl)-1H-pyrimidin-6-one is CC1CCC(c2ncc(Br)c(=O)[nH]2)O1.
What is the InChIKey of 5-bromo-2-(5-methyloxolan-2-yl)-1H-pyrimidin-6-one?
The InChIKey is CGTFHWITRGDYES-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11BrN2O2/c1-5-2-3-7(14-5)8-11-4-6(10)9(13)12-8/h4-5,7H,2-3H2,1H3,(H,11,12,13).
What are the key properties of 5-bromo-2-(5-methyloxolan-2-yl)-1H-pyrimidin-6-one?
5-bromo-2-(5-methyloxolan-2-yl)-1H-pyrimidin-6-one has a molecular weight of 259.10 g/mol, XLogP of 1.77, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-(5-methyloxolan-2-yl)-1H-pyrimidin-6-one is sourced from PubChem (CID 82837856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).