5-bromo-2-butan-2-yl-4-chloropyrimidine

C8H10BrClN2 — CID 66293873

IUPAC5-bromo-2-butan-2-yl-4-chloropyrimidine
SMILESCCC(C)c1ncc(Br)c(Cl)n1
InChIInChI=1S/C8H10BrClN2/c1-3-5(2)8-11-4-6(9)7(10)12-8/h4-5H,3H2,1-2H3
InChIKeyPSIAZRNNZHABSQ-UHFFFAOYSA-N
MW249.54 g/mol
LogP3.41
Rot. Bonds2

About 5-bromo-2-butan-2-yl-4-chloropyrimidine

5-bromo-2-butan-2-yl-4-chloropyrimidine (PubChem CID 66293873) has the molecular formula C8H10BrClN2 and a molecular weight of 249.54 g/mol. Its IUPAC name is 5-bromo-2-butan-2-yl-4-chloropyrimidine.

Molecular Properties

Compound Name5-bromo-2-butan-2-yl-4-chloropyrimidine
PubChem CID66293873
Molecular FormulaC8H10BrClN2
Molecular Weight249.54 g/mol
Exact Mass247.97
IUPAC Name5-bromo-2-butan-2-yl-4-chloropyrimidine
SMILESCCC(C)c1ncc(Br)c(Cl)n1
InChIInChI=1S/C8H10BrClN2/c1-3-5(2)8-11-4-6(9)7(10)12-8/h4-5H,3H2,1-2H3
InChIKeyPSIAZRNNZHABSQ-UHFFFAOYSA-N
XLogP3.41
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.54
LogP ≤ 53.41
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-yl-4-chloropyrimidine?
The IUPAC name of 5-bromo-2-butan-2-yl-4-chloropyrimidine (CID 66293873) is 5-bromo-2-butan-2-yl-4-chloropyrimidine.
What is the SMILES notation for 5-bromo-2-butan-2-yl-4-chloropyrimidine?
The canonical SMILES for 5-bromo-2-butan-2-yl-4-chloropyrimidine is CCC(C)c1ncc(Br)c(Cl)n1.
What is the InChIKey of 5-bromo-2-butan-2-yl-4-chloropyrimidine?
The InChIKey is PSIAZRNNZHABSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10BrClN2/c1-3-5(2)8-11-4-6(9)7(10)12-8/h4-5H,3H2,1-2H3.
What are the key properties of 5-bromo-2-butan-2-yl-4-chloropyrimidine?
5-bromo-2-butan-2-yl-4-chloropyrimidine has a molecular weight of 249.54 g/mol, XLogP of 3.41, 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-yl-4-chloropyrimidine is sourced from PubChem (CID 66293873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).