5-bromo-2-butan-2-ylpyrimidine

C8H11BrN2 — CID 130120212

IUPAC5-bromo-2-butan-2-ylpyrimidine
SMILESCCC(C)c1ncc(Br)cn1
InChIInChI=1S/C8H11BrN2/c1-3-6(2)8-10-4-7(9)5-11-8/h4-6H,3H2,1-2H3
InChIKeyGQCNBSGTECRTQN-UHFFFAOYSA-N
MW215.09 g/mol
LogP2.75
Rot. Bonds2

About 5-bromo-2-butan-2-ylpyrimidine

5-bromo-2-butan-2-ylpyrimidine (PubChem CID 130120212) has the molecular formula C8H11BrN2 and a molecular weight of 215.09 g/mol. Its IUPAC name is 5-bromo-2-butan-2-ylpyrimidine.

Molecular Properties

Compound Name5-bromo-2-butan-2-ylpyrimidine
PubChem CID130120212
Molecular FormulaC8H11BrN2
Molecular Weight215.09 g/mol
Exact Mass214.01
IUPAC Name5-bromo-2-butan-2-ylpyrimidine
SMILESCCC(C)c1ncc(Br)cn1
InChIInChI=1S/C8H11BrN2/c1-3-6(2)8-10-4-7(9)5-11-8/h4-6H,3H2,1-2H3
InChIKeyGQCNBSGTECRTQN-UHFFFAOYSA-N
XLogP2.75
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.09
LogP ≤ 52.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-butan-2-ylpyrimidine?
The IUPAC name of 5-bromo-2-butan-2-ylpyrimidine (CID 130120212) is 5-bromo-2-butan-2-ylpyrimidine.
What is the SMILES notation for 5-bromo-2-butan-2-ylpyrimidine?
The canonical SMILES for 5-bromo-2-butan-2-ylpyrimidine is CCC(C)c1ncc(Br)cn1.
What is the InChIKey of 5-bromo-2-butan-2-ylpyrimidine?
The InChIKey is GQCNBSGTECRTQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11BrN2/c1-3-6(2)8-10-4-7(9)5-11-8/h4-6H,3H2,1-2H3.
What are the key properties of 5-bromo-2-butan-2-ylpyrimidine?
5-bromo-2-butan-2-ylpyrimidine has a molecular weight of 215.09 g/mol, XLogP of 2.75, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-butan-2-ylpyrimidine is sourced from PubChem (CID 130120212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).