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

C9H11BrN2O — CID 76848543

IUPAC5-bromo-2-(oxan-4-yl)pyrimidine
SMILESBrc1cnc(C2CCOCC2)nc1
InChIInChI=1S/C9H11BrN2O/c10-8-5-11-9(12-6-8)7-1-3-13-4-2-7/h5-7H,1-4H2
InChIKeyAWFXDMOFRNSISC-UHFFFAOYSA-N
MW243.10 g/mol
LogP2.13
Rot. Bonds1

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

5-bromo-2-(oxan-4-yl)pyrimidine (PubChem CID 76848543) has the molecular formula C9H11BrN2O and a molecular weight of 243.10 g/mol. Its IUPAC name is 5-bromo-2-(oxan-4-yl)pyrimidine.

Molecular Properties

Compound Name5-bromo-2-(oxan-4-yl)pyrimidine
PubChem CID76848543
Molecular FormulaC9H11BrN2O
Molecular Weight243.10 g/mol
Exact Mass242.01
IUPAC Name5-bromo-2-(oxan-4-yl)pyrimidine
SMILESBrc1cnc(C2CCOCC2)nc1
InChIInChI=1S/C9H11BrN2O/c10-8-5-11-9(12-6-8)7-1-3-13-4-2-7/h5-7H,1-4H2
InChIKeyAWFXDMOFRNSISC-UHFFFAOYSA-N
XLogP2.13
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.10
LogP ≤ 52.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-(oxan-4-yl)pyrimidine?
The IUPAC name of 5-bromo-2-(oxan-4-yl)pyrimidine (CID 76848543) is 5-bromo-2-(oxan-4-yl)pyrimidine.
What is the SMILES notation for 5-bromo-2-(oxan-4-yl)pyrimidine?
The canonical SMILES for 5-bromo-2-(oxan-4-yl)pyrimidine is Brc1cnc(C2CCOCC2)nc1.
What is the InChIKey of 5-bromo-2-(oxan-4-yl)pyrimidine?
The InChIKey is AWFXDMOFRNSISC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11BrN2O/c10-8-5-11-9(12-6-8)7-1-3-13-4-2-7/h5-7H,1-4H2.
What are the key properties of 5-bromo-2-(oxan-4-yl)pyrimidine?
5-bromo-2-(oxan-4-yl)pyrimidine has a molecular weight of 243.10 g/mol, XLogP of 2.13, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-(oxan-4-yl)pyrimidine is sourced from PubChem (CID 76848543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).