5-(2,6-difluorophenoxy)-3-methylpyrimidin-4-one

C11H8F2N2O2 — CID 166057365

IUPAC5-(2,6-difluorophenoxy)-3-methylpyrimidin-4-one
SMILESCn1cncc(Oc2c(F)cccc2F)c1=O
InChIInChI=1S/C11H8F2N2O2/c1-15-6-14-5-9(11(15)16)17-10-7(12)3-2-4-8(10)13/h2-6H,1H3
InChIKeyWAWWULXTGNQMEO-UHFFFAOYSA-N
MW238.19 g/mol
LogP1.85
Rot. Bonds2

About 5-(2,6-difluorophenoxy)-3-methylpyrimidin-4-one

5-(2,6-difluorophenoxy)-3-methylpyrimidin-4-one (PubChem CID 166057365) has the molecular formula C11H8F2N2O2 and a molecular weight of 238.19 g/mol. Its IUPAC name is 5-(2,6-difluorophenoxy)-3-methylpyrimidin-4-one.

Molecular Properties

Compound Name5-(2,6-difluorophenoxy)-3-methylpyrimidin-4-one
PubChem CID166057365
Molecular FormulaC11H8F2N2O2
Molecular Weight238.19 g/mol
Exact Mass238.06
IUPAC Name5-(2,6-difluorophenoxy)-3-methylpyrimidin-4-one
SMILESCn1cncc(Oc2c(F)cccc2F)c1=O
InChIInChI=1S/C11H8F2N2O2/c1-15-6-14-5-9(11(15)16)17-10-7(12)3-2-4-8(10)13/h2-6H,1H3
InChIKeyWAWWULXTGNQMEO-UHFFFAOYSA-N
XLogP1.85
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.19
LogP ≤ 51.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-Amino-5-phenoxy-4-pyrimidinol
CID 4193906
3,6-Dimethyl-2-methylsulfanyl-5-phenoxypyrimidin-4-one
CID 742825
5-(3-methoxyphenoxy)-1H-pyrimidin-6-one
CID 12661862
4-Hydroxy-5-phenoxy pyrimidine
CID 12661854
5-(4-fluorophenoxy)-1H-pyrimidin-6-one
CID 12661860
5-(4-methylphenoxy)-1H-pyrimidin-6-one
CID 12661856
5-(4-methoxyphenoxy)-1H-pyrimidin-6-one
CID 12661863
2-(2,4-difluorophenoxy)-N-(2-(4-ethyl-6-oxopyrimidin-1(6H)-yl)ethyl)acetamide
CID 71795155
5-Bromo-3-(2-phenoxyethyl)-3,4-dihydropyrimidin-4-one
CID 66310199
2-amino-5-(4-fluorophenoxy)-1H-pyrimidin-6-one
CID 18432502
2-amino-5-(3-fluorophenoxy)-1H-pyrimidin-6-one
CID 18432510
2-amino-5-[4-(trifluoromethoxy)phenoxy]-1H-pyrimidin-6-one
CID 18432630

Frequently Asked Questions

What is the IUPAC name of 5-(2,6-difluorophenoxy)-3-methylpyrimidin-4-one?
The IUPAC name of 5-(2,6-difluorophenoxy)-3-methylpyrimidin-4-one (CID 166057365) is 5-(2,6-difluorophenoxy)-3-methylpyrimidin-4-one.
What is the SMILES notation for 5-(2,6-difluorophenoxy)-3-methylpyrimidin-4-one?
The canonical SMILES for 5-(2,6-difluorophenoxy)-3-methylpyrimidin-4-one is Cn1cncc(Oc2c(F)cccc2F)c1=O.
What is the InChIKey of 5-(2,6-difluorophenoxy)-3-methylpyrimidin-4-one?
The InChIKey is WAWWULXTGNQMEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8F2N2O2/c1-15-6-14-5-9(11(15)16)17-10-7(12)3-2-4-8(10)13/h2-6H,1H3.
What are the key properties of 5-(2,6-difluorophenoxy)-3-methylpyrimidin-4-one?
5-(2,6-difluorophenoxy)-3-methylpyrimidin-4-one has a molecular weight of 238.19 g/mol, XLogP of 1.85, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,6-difluorophenoxy)-3-methylpyrimidin-4-one is sourced from PubChem (CID 166057365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).