5-bromo-4-tert-butyl-2-cyclopropyl-6-fluoropyrimidine

C11H14BrFN2 — CID 147475997

IUPAC5-bromo-4-tert-butyl-2-cyclopropyl-6-fluoropyrimidine
SMILESCC(C)(C)c1nc(C2CC2)nc(F)c1Br
InChIInChI=1S/C11H14BrFN2/c1-11(2,3)8-7(12)9(13)15-10(14-8)6-4-5-6/h6H,4-5H2,1-3H3
InChIKeyFCRUYJKZMGLIPB-UHFFFAOYSA-N
MW273.15 g/mol
LogP3.55
Rot. Bonds1

About 5-bromo-4-tert-butyl-2-cyclopropyl-6-fluoropyrimidine

5-bromo-4-tert-butyl-2-cyclopropyl-6-fluoropyrimidine (PubChem CID 147475997) has the molecular formula C11H14BrFN2 and a molecular weight of 273.15 g/mol. Its IUPAC name is 5-bromo-4-tert-butyl-2-cyclopropyl-6-fluoropyrimidine.

Molecular Properties

Compound Name5-bromo-4-tert-butyl-2-cyclopropyl-6-fluoropyrimidine
PubChem CID147475997
Molecular FormulaC11H14BrFN2
Molecular Weight273.15 g/mol
Exact Mass272.03
IUPAC Name5-bromo-4-tert-butyl-2-cyclopropyl-6-fluoropyrimidine
SMILESCC(C)(C)c1nc(C2CC2)nc(F)c1Br
InChIInChI=1S/C11H14BrFN2/c1-11(2,3)8-7(12)9(13)15-10(14-8)6-4-5-6/h6H,4-5H2,1-3H3
InChIKeyFCRUYJKZMGLIPB-UHFFFAOYSA-N
XLogP3.55
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.15
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-tert-butyl-2-cyclopropyl-6-fluoropyrimidine?
The IUPAC name of 5-bromo-4-tert-butyl-2-cyclopropyl-6-fluoropyrimidine (CID 147475997) is 5-bromo-4-tert-butyl-2-cyclopropyl-6-fluoropyrimidine.
What is the SMILES notation for 5-bromo-4-tert-butyl-2-cyclopropyl-6-fluoropyrimidine?
The canonical SMILES for 5-bromo-4-tert-butyl-2-cyclopropyl-6-fluoropyrimidine is CC(C)(C)c1nc(C2CC2)nc(F)c1Br.
What is the InChIKey of 5-bromo-4-tert-butyl-2-cyclopropyl-6-fluoropyrimidine?
The InChIKey is FCRUYJKZMGLIPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrFN2/c1-11(2,3)8-7(12)9(13)15-10(14-8)6-4-5-6/h6H,4-5H2,1-3H3.
What are the key properties of 5-bromo-4-tert-butyl-2-cyclopropyl-6-fluoropyrimidine?
5-bromo-4-tert-butyl-2-cyclopropyl-6-fluoropyrimidine has a molecular weight of 273.15 g/mol, XLogP of 3.55, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-tert-butyl-2-cyclopropyl-6-fluoropyrimidine is sourced from PubChem (CID 147475997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).