(6-methoxypyrimidin-4-yl)-[3-(trifluoromethoxy)phenyl]methanone

C13H9F3N2O3 — CID 102949952

IUPAC(6-methoxypyrimidin-4-yl)-[3-(trifluoromethoxy)phenyl]methanone
SMILESCOc1cc(C(=O)c2cccc(OC(F)(F)F)c2)ncn1
InChIInChI=1S/C13H9F3N2O3/c1-20-11-6-10(17-7-18-11)12(19)8-3-2-4-9(5-8)21-13(14,15)16/h2-7H,1H3
InChIKeyYDJIVTICPIQGME-UHFFFAOYSA-N
MW298.22 g/mol
LogP2.61
Rot. Bonds4

About (6-methoxypyrimidin-4-yl)-[3-(trifluoromethoxy)phenyl]methanone

(6-methoxypyrimidin-4-yl)-[3-(trifluoromethoxy)phenyl]methanone (PubChem CID 102949952) has the molecular formula C13H9F3N2O3 and a molecular weight of 298.22 g/mol. Its IUPAC name is (6-methoxypyrimidin-4-yl)-[3-(trifluoromethoxy)phenyl]methanone.

Molecular Properties

Compound Name(6-methoxypyrimidin-4-yl)-[3-(trifluoromethoxy)phenyl]methanone
PubChem CID102949952
Molecular FormulaC13H9F3N2O3
Molecular Weight298.22 g/mol
Exact Mass298.06
IUPAC Name(6-methoxypyrimidin-4-yl)-[3-(trifluoromethoxy)phenyl]methanone
SMILESCOc1cc(C(=O)c2cccc(OC(F)(F)F)c2)ncn1
InChIInChI=1S/C13H9F3N2O3/c1-20-11-6-10(17-7-18-11)12(19)8-3-2-4-9(5-8)21-13(14,15)16/h2-7H,1H3
InChIKeyYDJIVTICPIQGME-UHFFFAOYSA-N
XLogP2.61
TPSA61.31 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.22
LogP ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(1-methylpyrazol-3-yl)-[3-(trifluoromethoxy)phenyl]methanone
CID 65195644
(4-tert-butylphenyl)-(6-methoxypyrimidin-4-yl)methanone
CID 102949992
(4-ethylphenyl)-[3-(trifluoromethoxy)phenyl]methanone
CID 63411511
(4-aminophenyl)-[3-(trifluoromethoxy)phenyl]methanone
CID 116548826
bis[3-(trifluoromethoxy)phenyl]methanone;1-bromo-3-(trifluoromethoxy)benzene;methane
CID 159656585
2-amino-2-methyl-1-[3-(trifluoromethoxy)phenyl]propan-1-one
CID 116560235
[7-[3-(6-methoxypyrimidin-4-yl)benzoyl]-9-oxa-3,7-diazabicyclo[3.3.1]nonan-3-yl]-[4-(trifluoromethoxy)phenyl]methanone
CID 171680132
(4-amino-3-methylphenyl)-[3-(trifluoromethoxy)phenyl]methanone
CID 116554006
3-(trifluoromethoxy)benzamide;hydrochloride
CID 66971456
5-(trifluoromethoxy)-2-[3-(trifluoromethoxy)benzoyl]benzoic acid
CID 22079272
3-amino-4-methyl-1-[3-(trifluoromethoxy)phenyl]pentan-1-one
CID 116606380
(5-fluoro-2-methylphenyl)-[3-(trifluoromethoxy)phenyl]methanone
CID 22079253

Frequently Asked Questions

What is the IUPAC name of (6-methoxypyrimidin-4-yl)-[3-(trifluoromethoxy)phenyl]methanone?
The IUPAC name of (6-methoxypyrimidin-4-yl)-[3-(trifluoromethoxy)phenyl]methanone (CID 102949952) is (6-methoxypyrimidin-4-yl)-[3-(trifluoromethoxy)phenyl]methanone.
What is the SMILES notation for (6-methoxypyrimidin-4-yl)-[3-(trifluoromethoxy)phenyl]methanone?
The canonical SMILES for (6-methoxypyrimidin-4-yl)-[3-(trifluoromethoxy)phenyl]methanone is COc1cc(C(=O)c2cccc(OC(F)(F)F)c2)ncn1.
What is the InChIKey of (6-methoxypyrimidin-4-yl)-[3-(trifluoromethoxy)phenyl]methanone?
The InChIKey is YDJIVTICPIQGME-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9F3N2O3/c1-20-11-6-10(17-7-18-11)12(19)8-3-2-4-9(5-8)21-13(14,15)16/h2-7H,1H3.
What are the key properties of (6-methoxypyrimidin-4-yl)-[3-(trifluoromethoxy)phenyl]methanone?
(6-methoxypyrimidin-4-yl)-[3-(trifluoromethoxy)phenyl]methanone has a molecular weight of 298.22 g/mol, XLogP of 2.61, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (6-methoxypyrimidin-4-yl)-[3-(trifluoromethoxy)phenyl]methanone is sourced from PubChem (CID 102949952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).