5-bromo-2-cyclopropyl-4,6-bis(2,2,2-trifluoroethoxy)pyrimidine

C11H9BrF6N2O2 — CID 86016335

IUPAC5-bromo-2-cyclopropyl-4,6-bis(2,2,2-trifluoroethoxy)pyrimidine
SMILESFC(F)(F)COc1nc(C2CC2)nc(OCC(F)(F)F)c1Br
InChIInChI=1S/C11H9BrF6N2O2/c12-6-8(21-3-10(13,14)15)19-7(5-1-2-5)20-9(6)22-4-11(16,17)18/h5H,1-4H2
InChIKeyMLEFENQGZHDZJZ-UHFFFAOYSA-N
MW395.10 g/mol
LogP4.00
Rot. Bonds5

About 5-bromo-2-cyclopropyl-4,6-bis(2,2,2-trifluoroethoxy)pyrimidine

5-bromo-2-cyclopropyl-4,6-bis(2,2,2-trifluoroethoxy)pyrimidine (PubChem CID 86016335) has the molecular formula C11H9BrF6N2O2 and a molecular weight of 395.10 g/mol. Its IUPAC name is 5-bromo-2-cyclopropyl-4,6-bis(2,2,2-trifluoroethoxy)pyrimidine.

Molecular Properties

Compound Name5-bromo-2-cyclopropyl-4,6-bis(2,2,2-trifluoroethoxy)pyrimidine
PubChem CID86016335
Molecular FormulaC11H9BrF6N2O2
Molecular Weight395.10 g/mol
Exact Mass393.98
IUPAC Name5-bromo-2-cyclopropyl-4,6-bis(2,2,2-trifluoroethoxy)pyrimidine
SMILESFC(F)(F)COc1nc(C2CC2)nc(OCC(F)(F)F)c1Br
InChIInChI=1S/C11H9BrF6N2O2/c12-6-8(21-3-10(13,14)15)19-7(5-1-2-5)20-9(6)22-4-11(16,17)18/h5H,1-4H2
InChIKeyMLEFENQGZHDZJZ-UHFFFAOYSA-N
XLogP4.00
TPSA44.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.10
LogP ≤ 54.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 86016319
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CID 86016338
CID 86016338
CID 87976665
CID 87976665
CID 87976791
CID 87976791
CID 87977028
CID 87977028
CID 87977665
CID 87977665
CID 163252588
CID 163252588
CID 164908297
CID 164908297
CID 169225705
CID 169225705

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-cyclopropyl-4,6-bis(2,2,2-trifluoroethoxy)pyrimidine?
The IUPAC name of 5-bromo-2-cyclopropyl-4,6-bis(2,2,2-trifluoroethoxy)pyrimidine (CID 86016335) is 5-bromo-2-cyclopropyl-4,6-bis(2,2,2-trifluoroethoxy)pyrimidine.
What is the SMILES notation for 5-bromo-2-cyclopropyl-4,6-bis(2,2,2-trifluoroethoxy)pyrimidine?
The canonical SMILES for 5-bromo-2-cyclopropyl-4,6-bis(2,2,2-trifluoroethoxy)pyrimidine is FC(F)(F)COc1nc(C2CC2)nc(OCC(F)(F)F)c1Br.
What is the InChIKey of 5-bromo-2-cyclopropyl-4,6-bis(2,2,2-trifluoroethoxy)pyrimidine?
The InChIKey is MLEFENQGZHDZJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9BrF6N2O2/c12-6-8(21-3-10(13,14)15)19-7(5-1-2-5)20-9(6)22-4-11(16,17)18/h5H,1-4H2.
What are the key properties of 5-bromo-2-cyclopropyl-4,6-bis(2,2,2-trifluoroethoxy)pyrimidine?
5-bromo-2-cyclopropyl-4,6-bis(2,2,2-trifluoroethoxy)pyrimidine has a molecular weight of 395.10 g/mol, XLogP of 4.00, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-cyclopropyl-4,6-bis(2,2,2-trifluoroethoxy)pyrimidine is sourced from PubChem (CID 86016335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).