2-methoxy-5-[4-(trifluoromethyl)pyrimidin-2-yl]oxyaniline

C12H10F3N3O2 — CID 103202016

IUPAC2-methoxy-5-[4-(trifluoromethyl)pyrimidin-2-yl]oxyaniline
SMILESCOc1ccc(Oc2nccc(C(F)(F)F)n2)cc1N
InChIInChI=1S/C12H10F3N3O2/c1-19-9-3-2-7(6-8(9)16)20-11-17-5-4-10(18-11)12(13,14)15/h2-6H,16H2,1H3
InChIKeyNIYRYFYWCLJPLM-UHFFFAOYSA-N
MW285.23 g/mol
LogP2.88
Rot. Bonds3

About 2-methoxy-5-[4-(trifluoromethyl)pyrimidin-2-yl]oxyaniline

2-methoxy-5-[4-(trifluoromethyl)pyrimidin-2-yl]oxyaniline (PubChem CID 103202016) has the molecular formula C12H10F3N3O2 and a molecular weight of 285.23 g/mol. Its IUPAC name is 2-methoxy-5-[4-(trifluoromethyl)pyrimidin-2-yl]oxyaniline.

Molecular Properties

Compound Name2-methoxy-5-[4-(trifluoromethyl)pyrimidin-2-yl]oxyaniline
PubChem CID103202016
Molecular FormulaC12H10F3N3O2
Molecular Weight285.23 g/mol
Exact Mass285.07
IUPAC Name2-methoxy-5-[4-(trifluoromethyl)pyrimidin-2-yl]oxyaniline
SMILESCOc1ccc(Oc2nccc(C(F)(F)F)n2)cc1N
InChIInChI=1S/C12H10F3N3O2/c1-19-9-3-2-7(6-8(9)16)20-11-17-5-4-10(18-11)12(13,14)15/h2-6H,16H2,1H3
InChIKeyNIYRYFYWCLJPLM-UHFFFAOYSA-N
XLogP2.88
TPSA70.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.23
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-5-[4-(trifluoromethyl)pyrimidin-2-yl]oxyaniline?
The IUPAC name of 2-methoxy-5-[4-(trifluoromethyl)pyrimidin-2-yl]oxyaniline (CID 103202016) is 2-methoxy-5-[4-(trifluoromethyl)pyrimidin-2-yl]oxyaniline.
What is the SMILES notation for 2-methoxy-5-[4-(trifluoromethyl)pyrimidin-2-yl]oxyaniline?
The canonical SMILES for 2-methoxy-5-[4-(trifluoromethyl)pyrimidin-2-yl]oxyaniline is COc1ccc(Oc2nccc(C(F)(F)F)n2)cc1N.
What is the InChIKey of 2-methoxy-5-[4-(trifluoromethyl)pyrimidin-2-yl]oxyaniline?
The InChIKey is NIYRYFYWCLJPLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10F3N3O2/c1-19-9-3-2-7(6-8(9)16)20-11-17-5-4-10(18-11)12(13,14)15/h2-6H,16H2,1H3.
What are the key properties of 2-methoxy-5-[4-(trifluoromethyl)pyrimidin-2-yl]oxyaniline?
2-methoxy-5-[4-(trifluoromethyl)pyrimidin-2-yl]oxyaniline has a molecular weight of 285.23 g/mol, XLogP of 2.88, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-5-[4-(trifluoromethyl)pyrimidin-2-yl]oxyaniline is sourced from PubChem (CID 103202016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).