5-phenylmethoxy-2-(trifluoromethyl)-1H-pyrimidin-6-one

C12H9F3N2O2 — CID 19903231

IUPAC5-phenylmethoxy-2-(trifluoromethyl)-1H-pyrimidin-6-one
SMILESO=c1[nH]c(C(F)(F)F)ncc1OCc1ccccc1
InChIInChI=1S/C12H9F3N2O2/c13-12(14,15)11-16-6-9(10(18)17-11)19-7-8-4-2-1-3-5-8/h1-6H,7H2,(H,16,17,18)
InChIKeyVBELYQGTYVDMRB-UHFFFAOYSA-N
MW270.21 g/mol
LogP2.37
Rot. Bonds3

About 5-phenylmethoxy-2-(trifluoromethyl)-1H-pyrimidin-6-one

5-phenylmethoxy-2-(trifluoromethyl)-1H-pyrimidin-6-one (PubChem CID 19903231) has the molecular formula C12H9F3N2O2 and a molecular weight of 270.21 g/mol. Its IUPAC name is 5-phenylmethoxy-2-(trifluoromethyl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-phenylmethoxy-2-(trifluoromethyl)-1H-pyrimidin-6-one
PubChem CID19903231
Molecular FormulaC12H9F3N2O2
Molecular Weight270.21 g/mol
Exact Mass270.06
IUPAC Name5-phenylmethoxy-2-(trifluoromethyl)-1H-pyrimidin-6-one
SMILESO=c1[nH]c(C(F)(F)F)ncc1OCc1ccccc1
InChIInChI=1S/C12H9F3N2O2/c13-12(14,15)11-16-6-9(10(18)17-11)19-7-8-4-2-1-3-5-8/h1-6H,7H2,(H,16,17,18)
InChIKeyVBELYQGTYVDMRB-UHFFFAOYSA-N
XLogP2.37
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.21
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-(Benzyloxy)-2-(methylthio)-4-pyrimidinol
CID 261916
5-(Benzyloxy)-2-phenylpyrimidin-4(3h)-one
CID 265548
5-(Benzyloxy)pyrimidin-4-ol
CID 262482
2-Amino-5-(benzyloxy)pyrimidin-4(3h)-one
CID 261915
N-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)methyl]-2-[(1R)-2,2,2-trifluoro-1-phenylethoxy]acetamide
CID 136703698
2-Benzyloxy-5-fluoropyrimidin-4-one
CID 12900144
4-(phenylmethoxymethyl)-2-(trifluoromethyl)-1H-pyrimidin-6-one
CID 137146916
5-phenylmethoxy-2-[[1-[4-(trifluoromethyl)phenyl]cyclopentyl]methyl]-1H-pyrimidin-6-one
CID 153961291
2-[[(5-Chlorocyclohexa-1,5-dien-1-yl)methylamino]methyl]-5-phenylmethoxy-3-(2,2,2-trifluoroethyl)pyrimidin-4-one
CID 178136581
(E)-3-amino-2-phenylmethoxy-N-(2,2,2-trifluoroethyl)prop-2-enamide;ethane
CID 178136584
6-Oxo-5-phenylmethoxy-1-(2,2,2-trifluoroethyl)pyrimidine-2-carbaldehyde
CID 178136591
CID 178136596
CID 178136596

Frequently Asked Questions

What is the IUPAC name of 5-phenylmethoxy-2-(trifluoromethyl)-1H-pyrimidin-6-one?
The IUPAC name of 5-phenylmethoxy-2-(trifluoromethyl)-1H-pyrimidin-6-one (CID 19903231) is 5-phenylmethoxy-2-(trifluoromethyl)-1H-pyrimidin-6-one.
What is the SMILES notation for 5-phenylmethoxy-2-(trifluoromethyl)-1H-pyrimidin-6-one?
The canonical SMILES for 5-phenylmethoxy-2-(trifluoromethyl)-1H-pyrimidin-6-one is O=c1[nH]c(C(F)(F)F)ncc1OCc1ccccc1.
What is the InChIKey of 5-phenylmethoxy-2-(trifluoromethyl)-1H-pyrimidin-6-one?
The InChIKey is VBELYQGTYVDMRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9F3N2O2/c13-12(14,15)11-16-6-9(10(18)17-11)19-7-8-4-2-1-3-5-8/h1-6H,7H2,(H,16,17,18).
What are the key properties of 5-phenylmethoxy-2-(trifluoromethyl)-1H-pyrimidin-6-one?
5-phenylmethoxy-2-(trifluoromethyl)-1H-pyrimidin-6-one has a molecular weight of 270.21 g/mol, XLogP of 2.37, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-phenylmethoxy-2-(trifluoromethyl)-1H-pyrimidin-6-one is sourced from PubChem (CID 19903231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).