5-methoxy-4-[3-(trifluoromethyl)phenoxy]-1H-pyrimidin-6-one

C12H9F3N2O3 — CID 103241247

IUPAC5-methoxy-4-[3-(trifluoromethyl)phenoxy]-1H-pyrimidin-6-one
SMILESCOc1c(Oc2cccc(C(F)(F)F)c2)nc[nH]c1=O
InChIInChI=1S/C12H9F3N2O3/c1-19-9-10(18)16-6-17-11(9)20-8-4-2-3-7(5-8)12(13,14)15/h2-6H,1H3,(H,16,17,18)
InChIKeyLKVUIKAHUJXINQ-UHFFFAOYSA-N
MW286.21 g/mol
LogP2.59
Rot. Bonds3

About 5-methoxy-4-[3-(trifluoromethyl)phenoxy]-1H-pyrimidin-6-one

5-methoxy-4-[3-(trifluoromethyl)phenoxy]-1H-pyrimidin-6-one (PubChem CID 103241247) has the molecular formula C12H9F3N2O3 and a molecular weight of 286.21 g/mol. Its IUPAC name is 5-methoxy-4-[3-(trifluoromethyl)phenoxy]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-methoxy-4-[3-(trifluoromethyl)phenoxy]-1H-pyrimidin-6-one
PubChem CID103241247
Molecular FormulaC12H9F3N2O3
Molecular Weight286.21 g/mol
Exact Mass286.06
IUPAC Name5-methoxy-4-[3-(trifluoromethyl)phenoxy]-1H-pyrimidin-6-one
SMILESCOc1c(Oc2cccc(C(F)(F)F)c2)nc[nH]c1=O
InChIInChI=1S/C12H9F3N2O3/c1-19-9-10(18)16-6-17-11(9)20-8-4-2-3-7(5-8)12(13,14)15/h2-6H,1H3,(H,16,17,18)
InChIKeyLKVUIKAHUJXINQ-UHFFFAOYSA-N
XLogP2.59
TPSA64.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.21
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-methoxy-4-phenoxy-1H-pyrimidin-6-one
CID 103241155
4-(3,4-difluorophenoxy)-5-methoxy-1H-pyrimidin-6-one
CID 103241335
5-methoxy-4-(4-propan-2-ylphenoxy)-1H-pyrimidin-6-one
CID 103240978
4-(2-iodophenoxy)-5-methoxy-1H-pyrimidin-6-one
CID 114574355
2-chloro-6-[3-(trifluoromethyl)phenoxy]-7H-purine
CID 104786953
4-(2-amino-5-methoxyphenoxy)-5-methoxy-1H-pyrimidin-6-one
CID 102702936
5,6-dimethyl-1-[3-(trifluoromethyl)phenoxy]isoquinoline
CID 71178034
3-methoxy-2-[2-methyl-4-[3-(trifluoromethyl)phenoxy]pyrimidin-5-yl]but-2-enoic acid
CID 139654305
6-methyl-4-[3-(trifluoromethyl)phenoxy]thieno[2,3-d]pyrimidine
CID 20963306
1-propyl-2-[3-(trifluoromethyl)phenoxy]-7H-purin-6-one
CID 123840119
1-[2-[3-(trifluoromethyl)phenoxy]-3-pyridinyl]ethanone
CID 170916930
5-amino-4-[4-(trifluoromethyl)phenoxy]-1H-pyrimidin-6-one
CID 103240889

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-4-[3-(trifluoromethyl)phenoxy]-1H-pyrimidin-6-one?
The IUPAC name of 5-methoxy-4-[3-(trifluoromethyl)phenoxy]-1H-pyrimidin-6-one (CID 103241247) is 5-methoxy-4-[3-(trifluoromethyl)phenoxy]-1H-pyrimidin-6-one.
What is the SMILES notation for 5-methoxy-4-[3-(trifluoromethyl)phenoxy]-1H-pyrimidin-6-one?
The canonical SMILES for 5-methoxy-4-[3-(trifluoromethyl)phenoxy]-1H-pyrimidin-6-one is COc1c(Oc2cccc(C(F)(F)F)c2)nc[nH]c1=O.
What is the InChIKey of 5-methoxy-4-[3-(trifluoromethyl)phenoxy]-1H-pyrimidin-6-one?
The InChIKey is LKVUIKAHUJXINQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9F3N2O3/c1-19-9-10(18)16-6-17-11(9)20-8-4-2-3-7(5-8)12(13,14)15/h2-6H,1H3,(H,16,17,18).
What are the key properties of 5-methoxy-4-[3-(trifluoromethyl)phenoxy]-1H-pyrimidin-6-one?
5-methoxy-4-[3-(trifluoromethyl)phenoxy]-1H-pyrimidin-6-one has a molecular weight of 286.21 g/mol, XLogP of 2.59, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-4-[3-(trifluoromethyl)phenoxy]-1H-pyrimidin-6-one is sourced from PubChem (CID 103241247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).