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

C13H11F3N2O2 — CID 135418995

IUPAC4-(methoxymethyl)-2-[4-(trifluoromethyl)phenyl]-1H-pyrimidin-6-one
SMILESCOCc1cc(=O)[nH]c(-c2ccc(C(F)(F)F)cc2)n1
InChIInChI=1S/C13H11F3N2O2/c1-20-7-10-6-11(19)18-12(17-10)8-2-4-9(5-3-8)13(14,15)16/h2-6H,7H2,1H3,(H,17,18,19)
InChIKeyAWCCTJKDYNANCQ-UHFFFAOYSA-N
MW284.24 g/mol
LogP2.60
Rot. Bonds3

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

4-(methoxymethyl)-2-[4-(trifluoromethyl)phenyl]-1H-pyrimidin-6-one (PubChem CID 135418995) has the molecular formula C13H11F3N2O2 and a molecular weight of 284.24 g/mol. Its IUPAC name is 4-(methoxymethyl)-2-[4-(trifluoromethyl)phenyl]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-(methoxymethyl)-2-[4-(trifluoromethyl)phenyl]-1H-pyrimidin-6-one
PubChem CID135418995
Molecular FormulaC13H11F3N2O2
Molecular Weight284.24 g/mol
Exact Mass284.08
IUPAC Name4-(methoxymethyl)-2-[4-(trifluoromethyl)phenyl]-1H-pyrimidin-6-one
SMILESCOCc1cc(=O)[nH]c(-c2ccc(C(F)(F)F)cc2)n1
InChIInChI=1S/C13H11F3N2O2/c1-20-7-10-6-11(19)18-12(17-10)8-2-4-9(5-3-8)13(14,15)16/h2-6H,7H2,1H3,(H,17,18,19)
InChIKeyAWCCTJKDYNANCQ-UHFFFAOYSA-N
XLogP2.60
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.24
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-Methyl-2-phenylpyrimidin-4-ol
CID 135448999
6-Methyl-2-(4-(trifluoromethyl)phenyl)pyrimidin-4-ol
CID 135435537
4-Hydroxy-2-phenyl-6-(trifluoromethyl)pyrimidine
CID 135410007
6-(Nonafluorobutyl)-2-phenylpyrimidin-4(3H)-one
CID 135446520
2-(4-(Trifluoromethyl)phenyl)-5,6-dihydro-3H-pyrano[3,4-D]pyrimidin-4(8H)-one
CID 135741861
2-(4-(Trifluoromethyl)phenyl)-7,8-dihydro-3H-pyrano[4,3-D]pyrimidin-4(5H)-one
CID 135741891
2-(P-Tolyl)-7,8-dihydro-3H-pyrano[4,3-D]pyrimidin-4(5H)-one
CID 136219324
6-(Methoxymethyl)-2-phenyl-4-pyrimidinol
CID 135472891
2-(4-Methylphenyl)-6-(trifluoromethyl)-4-pyrimidinol
CID 135406355
7-(methoxymethyl)-3-(4-methylphenyl)[1,2,4]triazolo[4,3-a]pyrimidin-5(8H)-one
CID 1227314
Ethyl 5-fluoro-1,6-dihydro-6-oxo-2-phenyl-4-pyrimidinecarboxylate
CID 135744231
2-(4-Fluorophenyl)-6-methylpyrimidin-4(1H)-one
CID 135629608

Frequently Asked Questions

What is the IUPAC name of 4-(methoxymethyl)-2-[4-(trifluoromethyl)phenyl]-1H-pyrimidin-6-one?
The IUPAC name of 4-(methoxymethyl)-2-[4-(trifluoromethyl)phenyl]-1H-pyrimidin-6-one (CID 135418995) is 4-(methoxymethyl)-2-[4-(trifluoromethyl)phenyl]-1H-pyrimidin-6-one.
What is the SMILES notation for 4-(methoxymethyl)-2-[4-(trifluoromethyl)phenyl]-1H-pyrimidin-6-one?
The canonical SMILES for 4-(methoxymethyl)-2-[4-(trifluoromethyl)phenyl]-1H-pyrimidin-6-one is COCc1cc(=O)[nH]c(-c2ccc(C(F)(F)F)cc2)n1.
What is the InChIKey of 4-(methoxymethyl)-2-[4-(trifluoromethyl)phenyl]-1H-pyrimidin-6-one?
The InChIKey is AWCCTJKDYNANCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11F3N2O2/c1-20-7-10-6-11(19)18-12(17-10)8-2-4-9(5-3-8)13(14,15)16/h2-6H,7H2,1H3,(H,17,18,19).
What are the key properties of 4-(methoxymethyl)-2-[4-(trifluoromethyl)phenyl]-1H-pyrimidin-6-one?
4-(methoxymethyl)-2-[4-(trifluoromethyl)phenyl]-1H-pyrimidin-6-one has a molecular weight of 284.24 g/mol, XLogP of 2.60, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(methoxymethyl)-2-[4-(trifluoromethyl)phenyl]-1H-pyrimidin-6-one is sourced from PubChem (CID 135418995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).