1-(5-bromopyrimidin-2-yl)-3-oxa-8-azabicyclo[3.2.1]octane

C10H12BrN3O — CID 175988619

IUPAC1-(5-bromopyrimidin-2-yl)-3-oxa-8-azabicyclo[3.2.1]octane
SMILESBrc1cnc(C23CCC(COC2)N3)nc1
InChIInChI=1S/C10H12BrN3O/c11-7-3-12-9(13-4-7)10-2-1-8(14-10)5-15-6-10/h3-4,8,14H,1-2,5-6H2
InChIKeyJVDXHIZZYJPQGS-UHFFFAOYSA-N
MW270.13 g/mol
LogP1.22
Rot. Bonds1

About 1-(5-bromopyrimidin-2-yl)-3-oxa-8-azabicyclo[3.2.1]octane

1-(5-bromopyrimidin-2-yl)-3-oxa-8-azabicyclo[3.2.1]octane (PubChem CID 175988619) has the molecular formula C10H12BrN3O and a molecular weight of 270.13 g/mol. Its IUPAC name is 1-(5-bromopyrimidin-2-yl)-3-oxa-8-azabicyclo[3.2.1]octane.

Molecular Properties

Compound Name1-(5-bromopyrimidin-2-yl)-3-oxa-8-azabicyclo[3.2.1]octane
PubChem CID175988619
Molecular FormulaC10H12BrN3O
Molecular Weight270.13 g/mol
Exact Mass269.02
IUPAC Name1-(5-bromopyrimidin-2-yl)-3-oxa-8-azabicyclo[3.2.1]octane
SMILESBrc1cnc(C23CCC(COC2)N3)nc1
InChIInChI=1S/C10H12BrN3O/c11-7-3-12-9(13-4-7)10-2-1-8(14-10)5-15-6-10/h3-4,8,14H,1-2,5-6H2
InChIKeyJVDXHIZZYJPQGS-UHFFFAOYSA-N
XLogP1.22
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.13
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(5-bromopyrimidin-2-yl)-3-oxa-8-azabicyclo[3.2.1]octane?
The IUPAC name of 1-(5-bromopyrimidin-2-yl)-3-oxa-8-azabicyclo[3.2.1]octane (CID 175988619) is 1-(5-bromopyrimidin-2-yl)-3-oxa-8-azabicyclo[3.2.1]octane.
What is the SMILES notation for 1-(5-bromopyrimidin-2-yl)-3-oxa-8-azabicyclo[3.2.1]octane?
The canonical SMILES for 1-(5-bromopyrimidin-2-yl)-3-oxa-8-azabicyclo[3.2.1]octane is Brc1cnc(C23CCC(COC2)N3)nc1.
What is the InChIKey of 1-(5-bromopyrimidin-2-yl)-3-oxa-8-azabicyclo[3.2.1]octane?
The InChIKey is JVDXHIZZYJPQGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12BrN3O/c11-7-3-12-9(13-4-7)10-2-1-8(14-10)5-15-6-10/h3-4,8,14H,1-2,5-6H2.
What are the key properties of 1-(5-bromopyrimidin-2-yl)-3-oxa-8-azabicyclo[3.2.1]octane?
1-(5-bromopyrimidin-2-yl)-3-oxa-8-azabicyclo[3.2.1]octane has a molecular weight of 270.13 g/mol, XLogP of 1.22, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromopyrimidin-2-yl)-3-oxa-8-azabicyclo[3.2.1]octane is sourced from PubChem (CID 175988619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).