1-(3-bromo-2-hydroxypropyl)pyrimidin-2-one

C7H9BrN2O2 — CID 71382842

IUPAC1-(3-bromo-2-hydroxypropyl)pyrimidin-2-one
SMILESO=c1ncccn1CC(O)CBr
InChIInChI=1S/C7H9BrN2O2/c8-4-6(11)5-10-3-1-2-9-7(10)12/h1-3,6,11H,4-5H2
InChIKeyWVVRJKBRYOJYBI-UHFFFAOYSA-N
MW233.06 g/mol
LogP-0.00
Rot. Bonds3

About 1-(3-bromo-2-hydroxypropyl)pyrimidin-2-one

1-(3-bromo-2-hydroxypropyl)pyrimidin-2-one (PubChem CID 71382842) has the molecular formula C7H9BrN2O2 and a molecular weight of 233.06 g/mol. Its IUPAC name is 1-(3-bromo-2-hydroxypropyl)pyrimidin-2-one.

Molecular Properties

Compound Name1-(3-bromo-2-hydroxypropyl)pyrimidin-2-one
PubChem CID71382842
Molecular FormulaC7H9BrN2O2
Molecular Weight233.06 g/mol
Exact Mass231.98
IUPAC Name1-(3-bromo-2-hydroxypropyl)pyrimidin-2-one
SMILESO=c1ncccn1CC(O)CBr
InChIInChI=1S/C7H9BrN2O2/c8-4-6(11)5-10-3-1-2-9-7(10)12/h1-3,6,11H,4-5H2
InChIKeyWVVRJKBRYOJYBI-UHFFFAOYSA-N
XLogP-0.00
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.06
LogP ≤ 5-0.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(3-bromo-2-hydroxypropyl)pyrimidin-2-one?
The IUPAC name of 1-(3-bromo-2-hydroxypropyl)pyrimidin-2-one (CID 71382842) is 1-(3-bromo-2-hydroxypropyl)pyrimidin-2-one.
What is the SMILES notation for 1-(3-bromo-2-hydroxypropyl)pyrimidin-2-one?
The canonical SMILES for 1-(3-bromo-2-hydroxypropyl)pyrimidin-2-one is O=c1ncccn1CC(O)CBr.
What is the InChIKey of 1-(3-bromo-2-hydroxypropyl)pyrimidin-2-one?
The InChIKey is WVVRJKBRYOJYBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9BrN2O2/c8-4-6(11)5-10-3-1-2-9-7(10)12/h1-3,6,11H,4-5H2.
What are the key properties of 1-(3-bromo-2-hydroxypropyl)pyrimidin-2-one?
1-(3-bromo-2-hydroxypropyl)pyrimidin-2-one has a molecular weight of 233.06 g/mol, XLogP of -0.00, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromo-2-hydroxypropyl)pyrimidin-2-one is sourced from PubChem (CID 71382842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).