5-bromo-2-(oxan-4-yloxy)pyrimidine

C9H11BrN2O2 — CID 63867842

IUPAC5-bromo-2-(oxan-4-yloxy)pyrimidine
SMILESBrc1cnc(OC2CCOCC2)nc1
InChIInChI=1S/C9H11BrN2O2/c10-7-5-11-9(12-6-7)14-8-1-3-13-4-2-8/h5-6,8H,1-4H2
InChIKeyJVJOQSNQZAOWAH-UHFFFAOYSA-N
MW259.10 g/mol
LogP1.80
Rot. Bonds2

About 5-bromo-2-(oxan-4-yloxy)pyrimidine

5-bromo-2-(oxan-4-yloxy)pyrimidine (PubChem CID 63867842) has the molecular formula C9H11BrN2O2 and a molecular weight of 259.10 g/mol. Its IUPAC name is 5-bromo-2-(oxan-4-yloxy)pyrimidine.

Molecular Properties

Compound Name5-bromo-2-(oxan-4-yloxy)pyrimidine
PubChem CID63867842
Molecular FormulaC9H11BrN2O2
Molecular Weight259.10 g/mol
Exact Mass258.00
IUPAC Name5-bromo-2-(oxan-4-yloxy)pyrimidine
SMILESBrc1cnc(OC2CCOCC2)nc1
InChIInChI=1S/C9H11BrN2O2/c10-7-5-11-9(12-6-7)14-8-1-3-13-4-2-8/h5-6,8H,1-4H2
InChIKeyJVJOQSNQZAOWAH-UHFFFAOYSA-N
XLogP1.80
TPSA44.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.10
LogP ≤ 51.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-(oxan-4-yloxy)pyrimidine?
The IUPAC name of 5-bromo-2-(oxan-4-yloxy)pyrimidine (CID 63867842) is 5-bromo-2-(oxan-4-yloxy)pyrimidine.
What is the SMILES notation for 5-bromo-2-(oxan-4-yloxy)pyrimidine?
The canonical SMILES for 5-bromo-2-(oxan-4-yloxy)pyrimidine is Brc1cnc(OC2CCOCC2)nc1.
What is the InChIKey of 5-bromo-2-(oxan-4-yloxy)pyrimidine?
The InChIKey is JVJOQSNQZAOWAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11BrN2O2/c10-7-5-11-9(12-6-7)14-8-1-3-13-4-2-8/h5-6,8H,1-4H2.
What are the key properties of 5-bromo-2-(oxan-4-yloxy)pyrimidine?
5-bromo-2-(oxan-4-yloxy)pyrimidine has a molecular weight of 259.10 g/mol, XLogP of 1.80, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-(oxan-4-yloxy)pyrimidine is sourced from PubChem (CID 63867842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).