5-bromo-4-chloro-6-ethyl-2-(oxan-4-yl)pyrimidine

C11H14BrClN2O — CID 66294218

IUPAC5-bromo-4-chloro-6-ethyl-2-(oxan-4-yl)pyrimidine
SMILESCCc1nc(C2CCOCC2)nc(Cl)c1Br
InChIInChI=1S/C11H14BrClN2O/c1-2-8-9(12)10(13)15-11(14-8)7-3-5-16-6-4-7/h7H,2-6H2,1H3
InChIKeyBQWKFOMVAQUSDI-UHFFFAOYSA-N
MW305.60 g/mol
LogP3.35
Rot. Bonds2

About 5-bromo-4-chloro-6-ethyl-2-(oxan-4-yl)pyrimidine

5-bromo-4-chloro-6-ethyl-2-(oxan-4-yl)pyrimidine (PubChem CID 66294218) has the molecular formula C11H14BrClN2O and a molecular weight of 305.60 g/mol. Its IUPAC name is 5-bromo-4-chloro-6-ethyl-2-(oxan-4-yl)pyrimidine.

Molecular Properties

Compound Name5-bromo-4-chloro-6-ethyl-2-(oxan-4-yl)pyrimidine
PubChem CID66294218
Molecular FormulaC11H14BrClN2O
Molecular Weight305.60 g/mol
Exact Mass304.00
IUPAC Name5-bromo-4-chloro-6-ethyl-2-(oxan-4-yl)pyrimidine
SMILESCCc1nc(C2CCOCC2)nc(Cl)c1Br
InChIInChI=1S/C11H14BrClN2O/c1-2-8-9(12)10(13)15-11(14-8)7-3-5-16-6-4-7/h7H,2-6H2,1H3
InChIKeyBQWKFOMVAQUSDI-UHFFFAOYSA-N
XLogP3.35
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.60
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-chloro-6-ethyl-2-(oxan-4-yl)pyrimidine?
The IUPAC name of 5-bromo-4-chloro-6-ethyl-2-(oxan-4-yl)pyrimidine (CID 66294218) is 5-bromo-4-chloro-6-ethyl-2-(oxan-4-yl)pyrimidine.
What is the SMILES notation for 5-bromo-4-chloro-6-ethyl-2-(oxan-4-yl)pyrimidine?
The canonical SMILES for 5-bromo-4-chloro-6-ethyl-2-(oxan-4-yl)pyrimidine is CCc1nc(C2CCOCC2)nc(Cl)c1Br.
What is the InChIKey of 5-bromo-4-chloro-6-ethyl-2-(oxan-4-yl)pyrimidine?
The InChIKey is BQWKFOMVAQUSDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrClN2O/c1-2-8-9(12)10(13)15-11(14-8)7-3-5-16-6-4-7/h7H,2-6H2,1H3.
What are the key properties of 5-bromo-4-chloro-6-ethyl-2-(oxan-4-yl)pyrimidine?
5-bromo-4-chloro-6-ethyl-2-(oxan-4-yl)pyrimidine has a molecular weight of 305.60 g/mol, XLogP of 3.35, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-chloro-6-ethyl-2-(oxan-4-yl)pyrimidine is sourced from PubChem (CID 66294218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).