5-bromo-4-methoxy-2-[4-(trifluoromethyl)phenoxy]pyrimidine

C12H8BrF3N2O2 — CID 106999154

IUPAC5-bromo-4-methoxy-2-[4-(trifluoromethyl)phenoxy]pyrimidine
SMILESCOc1nc(Oc2ccc(C(F)(F)F)cc2)ncc1Br
InChIInChI=1S/C12H8BrF3N2O2/c1-19-10-9(13)6-17-11(18-10)20-8-4-2-7(3-5-8)12(14,15)16/h2-6H,1H3
InChIKeySWRYMUDVEUXKRA-UHFFFAOYSA-N
MW349.11 g/mol
LogP4.06
Rot. Bonds3

About 5-bromo-4-methoxy-2-[4-(trifluoromethyl)phenoxy]pyrimidine

5-bromo-4-methoxy-2-[4-(trifluoromethyl)phenoxy]pyrimidine (PubChem CID 106999154) has the molecular formula C12H8BrF3N2O2 and a molecular weight of 349.11 g/mol. Its IUPAC name is 5-bromo-4-methoxy-2-[4-(trifluoromethyl)phenoxy]pyrimidine.

Molecular Properties

Compound Name5-bromo-4-methoxy-2-[4-(trifluoromethyl)phenoxy]pyrimidine
PubChem CID106999154
Molecular FormulaC12H8BrF3N2O2
Molecular Weight349.11 g/mol
Exact Mass347.97
IUPAC Name5-bromo-4-methoxy-2-[4-(trifluoromethyl)phenoxy]pyrimidine
SMILESCOc1nc(Oc2ccc(C(F)(F)F)cc2)ncc1Br
InChIInChI=1S/C12H8BrF3N2O2/c1-19-10-9(13)6-17-11(18-10)20-8-4-2-7(3-5-8)12(14,15)16/h2-6H,1H3
InChIKeySWRYMUDVEUXKRA-UHFFFAOYSA-N
XLogP4.06
TPSA44.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.11
LogP ≤ 54.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-methoxy-2-[4-(trifluoromethyl)phenoxy]pyrimidine?
The IUPAC name of 5-bromo-4-methoxy-2-[4-(trifluoromethyl)phenoxy]pyrimidine (CID 106999154) is 5-bromo-4-methoxy-2-[4-(trifluoromethyl)phenoxy]pyrimidine.
What is the SMILES notation for 5-bromo-4-methoxy-2-[4-(trifluoromethyl)phenoxy]pyrimidine?
The canonical SMILES for 5-bromo-4-methoxy-2-[4-(trifluoromethyl)phenoxy]pyrimidine is COc1nc(Oc2ccc(C(F)(F)F)cc2)ncc1Br.
What is the InChIKey of 5-bromo-4-methoxy-2-[4-(trifluoromethyl)phenoxy]pyrimidine?
The InChIKey is SWRYMUDVEUXKRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8BrF3N2O2/c1-19-10-9(13)6-17-11(18-10)20-8-4-2-7(3-5-8)12(14,15)16/h2-6H,1H3.
What are the key properties of 5-bromo-4-methoxy-2-[4-(trifluoromethyl)phenoxy]pyrimidine?
5-bromo-4-methoxy-2-[4-(trifluoromethyl)phenoxy]pyrimidine has a molecular weight of 349.11 g/mol, XLogP of 4.06, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-methoxy-2-[4-(trifluoromethyl)phenoxy]pyrimidine is sourced from PubChem (CID 106999154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).