4-bromo-6-phenylmethoxy-2-[3-(trifluoromethyl)phenoxy]pyrimidine

C18H12BrF3N2O2 — CID 19690812

IUPAC4-bromo-6-phenylmethoxy-2-[3-(trifluoromethyl)phenoxy]pyrimidine
SMILESFC(F)(F)c1cccc(Oc2nc(Br)cc(OCc3ccccc3)n2)c1
InChIInChI=1S/C18H12BrF3N2O2/c19-15-10-16(25-11-12-5-2-1-3-6-12)24-17(23-15)26-14-8-4-7-13(9-14)18(20,21)22/h1-10H,11H2
InChIKeyVUUZPJVZDNJIEO-UHFFFAOYSA-N
MW425.20 g/mol
LogP5.63
Rot. Bonds5

About 4-bromo-6-phenylmethoxy-2-[3-(trifluoromethyl)phenoxy]pyrimidine

4-bromo-6-phenylmethoxy-2-[3-(trifluoromethyl)phenoxy]pyrimidine (PubChem CID 19690812) has the molecular formula C18H12BrF3N2O2 and a molecular weight of 425.20 g/mol. Its IUPAC name is 4-bromo-6-phenylmethoxy-2-[3-(trifluoromethyl)phenoxy]pyrimidine.

Molecular Properties

Compound Name4-bromo-6-phenylmethoxy-2-[3-(trifluoromethyl)phenoxy]pyrimidine
PubChem CID19690812
Molecular FormulaC18H12BrF3N2O2
Molecular Weight425.20 g/mol
Exact Mass424.00
IUPAC Name4-bromo-6-phenylmethoxy-2-[3-(trifluoromethyl)phenoxy]pyrimidine
SMILESFC(F)(F)c1cccc(Oc2nc(Br)cc(OCc3ccccc3)n2)c1
InChIInChI=1S/C18H12BrF3N2O2/c19-15-10-16(25-11-12-5-2-1-3-6-12)24-17(23-15)26-14-8-4-7-13(9-14)18(20,21)22/h1-10H,11H2
InChIKeyVUUZPJVZDNJIEO-UHFFFAOYSA-N
XLogP5.63
TPSA44.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500425.20
LogP ≤ 55.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-6-phenylmethoxy-2-[3-(trifluoromethyl)phenoxy]pyrimidine?
The IUPAC name of 4-bromo-6-phenylmethoxy-2-[3-(trifluoromethyl)phenoxy]pyrimidine (CID 19690812) is 4-bromo-6-phenylmethoxy-2-[3-(trifluoromethyl)phenoxy]pyrimidine.
What is the SMILES notation for 4-bromo-6-phenylmethoxy-2-[3-(trifluoromethyl)phenoxy]pyrimidine?
The canonical SMILES for 4-bromo-6-phenylmethoxy-2-[3-(trifluoromethyl)phenoxy]pyrimidine is FC(F)(F)c1cccc(Oc2nc(Br)cc(OCc3ccccc3)n2)c1.
What is the InChIKey of 4-bromo-6-phenylmethoxy-2-[3-(trifluoromethyl)phenoxy]pyrimidine?
The InChIKey is VUUZPJVZDNJIEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12BrF3N2O2/c19-15-10-16(25-11-12-5-2-1-3-6-12)24-17(23-15)26-14-8-4-7-13(9-14)18(20,21)22/h1-10H,11H2.
What are the key properties of 4-bromo-6-phenylmethoxy-2-[3-(trifluoromethyl)phenoxy]pyrimidine?
4-bromo-6-phenylmethoxy-2-[3-(trifluoromethyl)phenoxy]pyrimidine has a molecular weight of 425.20 g/mol, XLogP of 5.63, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-6-phenylmethoxy-2-[3-(trifluoromethyl)phenoxy]pyrimidine is sourced from PubChem (CID 19690812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).