[2-[(4-methoxyphenyl)methoxy]pyrimidin-5-yl]-[3-(trifluoromethyl)phenyl]methanone

C20H15F3N2O3 — CID 134539232

IUPAC[2-[(4-methoxyphenyl)methoxy]pyrimidin-5-yl]-[3-(trifluoromethyl)phenyl]methanone
SMILESCOc1ccc(COc2ncc(C(=O)c3cccc(C(F)(F)F)c3)cn2)cc1
InChIInChI=1S/C20H15F3N2O3/c1-27-17-7-5-13(6-8-17)12-28-19-24-10-15(11-25-19)18(26)14-3-2-4-16(9-14)20(21,22)23/h2-11H,12H2,1H3
InChIKeyIRVDTYYSNPLUEA-UHFFFAOYSA-N
MW388.35 g/mol
LogP4.31
Rot. Bonds6

About [2-[(4-methoxyphenyl)methoxy]pyrimidin-5-yl]-[3-(trifluoromethyl)phenyl]methanone

[2-[(4-methoxyphenyl)methoxy]pyrimidin-5-yl]-[3-(trifluoromethyl)phenyl]methanone (PubChem CID 134539232) has the molecular formula C20H15F3N2O3 and a molecular weight of 388.35 g/mol. Its IUPAC name is [2-[(4-methoxyphenyl)methoxy]pyrimidin-5-yl]-[3-(trifluoromethyl)phenyl]methanone.

Molecular Properties

Compound Name[2-[(4-methoxyphenyl)methoxy]pyrimidin-5-yl]-[3-(trifluoromethyl)phenyl]methanone
PubChem CID134539232
Molecular FormulaC20H15F3N2O3
Molecular Weight388.35 g/mol
Exact Mass388.10
IUPAC Name[2-[(4-methoxyphenyl)methoxy]pyrimidin-5-yl]-[3-(trifluoromethyl)phenyl]methanone
SMILESCOc1ccc(COc2ncc(C(=O)c3cccc(C(F)(F)F)c3)cn2)cc1
InChIInChI=1S/C20H15F3N2O3/c1-27-17-7-5-13(6-8-17)12-28-19-24-10-15(11-25-19)18(26)14-3-2-4-16(9-14)20(21,22)23/h2-11H,12H2,1H3
InChIKeyIRVDTYYSNPLUEA-UHFFFAOYSA-N
XLogP4.31
TPSA61.31 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.35
LogP ≤ 54.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [2-[(4-methoxyphenyl)methoxy]pyrimidin-5-yl]-[3-(trifluoromethyl)phenyl]methanone?
The IUPAC name of [2-[(4-methoxyphenyl)methoxy]pyrimidin-5-yl]-[3-(trifluoromethyl)phenyl]methanone (CID 134539232) is [2-[(4-methoxyphenyl)methoxy]pyrimidin-5-yl]-[3-(trifluoromethyl)phenyl]methanone.
What is the SMILES notation for [2-[(4-methoxyphenyl)methoxy]pyrimidin-5-yl]-[3-(trifluoromethyl)phenyl]methanone?
The canonical SMILES for [2-[(4-methoxyphenyl)methoxy]pyrimidin-5-yl]-[3-(trifluoromethyl)phenyl]methanone is COc1ccc(COc2ncc(C(=O)c3cccc(C(F)(F)F)c3)cn2)cc1.
What is the InChIKey of [2-[(4-methoxyphenyl)methoxy]pyrimidin-5-yl]-[3-(trifluoromethyl)phenyl]methanone?
The InChIKey is IRVDTYYSNPLUEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15F3N2O3/c1-27-17-7-5-13(6-8-17)12-28-19-24-10-15(11-25-19)18(26)14-3-2-4-16(9-14)20(21,22)23/h2-11H,12H2,1H3.
What are the key properties of [2-[(4-methoxyphenyl)methoxy]pyrimidin-5-yl]-[3-(trifluoromethyl)phenyl]methanone?
[2-[(4-methoxyphenyl)methoxy]pyrimidin-5-yl]-[3-(trifluoromethyl)phenyl]methanone has a molecular weight of 388.35 g/mol, XLogP of 4.31, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(4-methoxyphenyl)methoxy]pyrimidin-5-yl]-[3-(trifluoromethyl)phenyl]methanone is sourced from PubChem (CID 134539232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).