4-(methoxymethyl)-2-[2-(trifluoromethoxy)phenyl]-1H-pyrimidin-6-one

C13H11F3N2O3 — CID 135444409

IUPAC4-(methoxymethyl)-2-[2-(trifluoromethoxy)phenyl]-1H-pyrimidin-6-one
SMILESCOCc1cc(=O)[nH]c(-c2ccccc2OC(F)(F)F)n1
InChIInChI=1S/C13H11F3N2O3/c1-20-7-8-6-11(19)18-12(17-8)9-4-2-3-5-10(9)21-13(14,15)16/h2-6H,7H2,1H3,(H,17,18,19)
InChIKeyWSLUWXFIMJJBLN-UHFFFAOYSA-N
MW300.24 g/mol
LogP2.48
Rot. Bonds4

About 4-(methoxymethyl)-2-[2-(trifluoromethoxy)phenyl]-1H-pyrimidin-6-one

4-(methoxymethyl)-2-[2-(trifluoromethoxy)phenyl]-1H-pyrimidin-6-one (PubChem CID 135444409) has the molecular formula C13H11F3N2O3 and a molecular weight of 300.24 g/mol. Its IUPAC name is 4-(methoxymethyl)-2-[2-(trifluoromethoxy)phenyl]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-(methoxymethyl)-2-[2-(trifluoromethoxy)phenyl]-1H-pyrimidin-6-one
PubChem CID135444409
Molecular FormulaC13H11F3N2O3
Molecular Weight300.24 g/mol
Exact Mass300.07
IUPAC Name4-(methoxymethyl)-2-[2-(trifluoromethoxy)phenyl]-1H-pyrimidin-6-one
SMILESCOCc1cc(=O)[nH]c(-c2ccccc2OC(F)(F)F)n1
InChIInChI=1S/C13H11F3N2O3/c1-20-7-8-6-11(19)18-12(17-8)9-4-2-3-5-10(9)21-13(14,15)16/h2-6H,7H2,1H3,(H,17,18,19)
InChIKeyWSLUWXFIMJJBLN-UHFFFAOYSA-N
XLogP2.48
TPSA64.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.24
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-Mercapto-2-(2-methoxyphenyl)-6-methylpyrimidin-5-yl]ethan-1-one
CID 2745792
2-[2-(Trifluoromethoxy)phenyl]-6-(trifluoromethyl)pyrimidin-4-ol
CID 135419003
2-(2-Hydroxyphenyl)-6-methyl-4-pyrimidinol
CID 135421721
7-(methoxymethyl)-3-(2-methoxyphenyl)-1H-[1,2,4]triazolo[4,3-a]pyrimidin-5-one
CID 652810
2-(4-Methoxyphenyl)-7,8-dihydro-3H-pyrano[4,3-D]pyrimidin-4(5H)-one
CID 135741853
2-(4-(Trifluoromethoxy)phenyl)-7,8-dihydro-3H-pyrano[4,3-D]pyrimidin-4(5H)-one
CID 135741890
6-Methyl-2-[2-(trifluoromethoxy)phenyl]pyrimidin-4-ol
CID 135419018
5-Chloro-6-methyl-2-[2-(trifluoromethoxy)phenyl]pyrimidin-4-ol
CID 135470205
2-(4-methoxyphenyl)-4-(trifluoromethyl)-1H-pyrimidin-6-one
CID 135841601
5-(methoxymethyl)-3-(2-methoxyphenyl)-2-methylpyrazolo[1,5-a]pyrimidin-7(4H)-one
CID 24048936
4-Hydroxy-6-(2-methoxyphenyl)-2-phenyl-5-pyrimidinecarbonitrile
CID 135472849
2-Methyl-6-[2-({2-[(2-methylprop-2-en-1-yl)oxy]benzyl}amino)ethyl]pyrimidin-4-ol
CID 136046732

Frequently Asked Questions

What is the IUPAC name of 4-(methoxymethyl)-2-[2-(trifluoromethoxy)phenyl]-1H-pyrimidin-6-one?
The IUPAC name of 4-(methoxymethyl)-2-[2-(trifluoromethoxy)phenyl]-1H-pyrimidin-6-one (CID 135444409) is 4-(methoxymethyl)-2-[2-(trifluoromethoxy)phenyl]-1H-pyrimidin-6-one.
What is the SMILES notation for 4-(methoxymethyl)-2-[2-(trifluoromethoxy)phenyl]-1H-pyrimidin-6-one?
The canonical SMILES for 4-(methoxymethyl)-2-[2-(trifluoromethoxy)phenyl]-1H-pyrimidin-6-one is COCc1cc(=O)[nH]c(-c2ccccc2OC(F)(F)F)n1.
What is the InChIKey of 4-(methoxymethyl)-2-[2-(trifluoromethoxy)phenyl]-1H-pyrimidin-6-one?
The InChIKey is WSLUWXFIMJJBLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11F3N2O3/c1-20-7-8-6-11(19)18-12(17-8)9-4-2-3-5-10(9)21-13(14,15)16/h2-6H,7H2,1H3,(H,17,18,19).
What are the key properties of 4-(methoxymethyl)-2-[2-(trifluoromethoxy)phenyl]-1H-pyrimidin-6-one?
4-(methoxymethyl)-2-[2-(trifluoromethoxy)phenyl]-1H-pyrimidin-6-one has a molecular weight of 300.24 g/mol, XLogP of 2.48, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(methoxymethyl)-2-[2-(trifluoromethoxy)phenyl]-1H-pyrimidin-6-one is sourced from PubChem (CID 135444409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).