2-ethyl-4-(2-fluorophenoxy)-1H-pyrimidin-6-one

C12H11FN2O2 — CID 103241071

IUPAC2-ethyl-4-(2-fluorophenoxy)-1H-pyrimidin-6-one
SMILESCCc1nc(Oc2ccccc2F)cc(=O)[nH]1
InChIInChI=1S/C12H11FN2O2/c1-2-10-14-11(16)7-12(15-10)17-9-6-4-3-5-8(9)13/h3-7H,2H2,1H3,(H,14,15,16)
InChIKeyPXZNCPKXVICADH-UHFFFAOYSA-N
MW234.23 g/mol
LogP2.26
Rot. Bonds3

About 2-ethyl-4-(2-fluorophenoxy)-1H-pyrimidin-6-one

2-ethyl-4-(2-fluorophenoxy)-1H-pyrimidin-6-one (PubChem CID 103241071) has the molecular formula C12H11FN2O2 and a molecular weight of 234.23 g/mol. Its IUPAC name is 2-ethyl-4-(2-fluorophenoxy)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-ethyl-4-(2-fluorophenoxy)-1H-pyrimidin-6-one
PubChem CID103241071
Molecular FormulaC12H11FN2O2
Molecular Weight234.23 g/mol
Exact Mass234.08
IUPAC Name2-ethyl-4-(2-fluorophenoxy)-1H-pyrimidin-6-one
SMILESCCc1nc(Oc2ccccc2F)cc(=O)[nH]1
InChIInChI=1S/C12H11FN2O2/c1-2-10-14-11(16)7-12(15-10)17-9-6-4-3-5-8(9)13/h3-7H,2H2,1H3,(H,14,15,16)
InChIKeyPXZNCPKXVICADH-UHFFFAOYSA-N
XLogP2.26
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.23
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-ethyl-4-naphthalen-1-yloxy-1H-pyrimidin-6-one
CID 103241192
4-(5-amino-2-methylphenoxy)-2-ethyl-1H-pyrimidin-6-one
CID 114578659
2-ethyl-4-(2-fluorophenyl)-1H-pyrimidin-6-one
CID 136692389
4-[2-(aminomethyl)-3-fluorophenoxy]-2-methyl-1H-pyrimidin-6-one
CID 114585940
4-(4-amino-2-prop-2-enylphenoxy)-2-ethyl-1H-pyrimidin-6-one
CID 114578805
4-(2-ethoxyphenoxy)-2-methyl-1H-pyrimidin-6-one
CID 103240999
4-butan-2-yloxy-2-ethyl-1H-pyrimidin-6-one
CID 103240860
2-methyl-4-naphthalen-1-yloxy-1H-pyrimidin-6-one
CID 103241191
[2-ethyl-6-(2-fluorophenoxy)pyrimidin-4-yl]hydrazine
CID 80940358
4-(5-bromo-2-fluorophenoxy)-2-methyl-1H-pyrimidin-6-one
CID 114673213
4-[2-(aminomethyl)phenoxy]-2-methyl-1H-pyrimidin-6-one
CID 114585899
4-cyclohexyloxy-2-ethyl-1H-pyrimidin-6-one
CID 103240537

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-4-(2-fluorophenoxy)-1H-pyrimidin-6-one?
The IUPAC name of 2-ethyl-4-(2-fluorophenoxy)-1H-pyrimidin-6-one (CID 103241071) is 2-ethyl-4-(2-fluorophenoxy)-1H-pyrimidin-6-one.
What is the SMILES notation for 2-ethyl-4-(2-fluorophenoxy)-1H-pyrimidin-6-one?
The canonical SMILES for 2-ethyl-4-(2-fluorophenoxy)-1H-pyrimidin-6-one is CCc1nc(Oc2ccccc2F)cc(=O)[nH]1.
What is the InChIKey of 2-ethyl-4-(2-fluorophenoxy)-1H-pyrimidin-6-one?
The InChIKey is PXZNCPKXVICADH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11FN2O2/c1-2-10-14-11(16)7-12(15-10)17-9-6-4-3-5-8(9)13/h3-7H,2H2,1H3,(H,14,15,16).
What are the key properties of 2-ethyl-4-(2-fluorophenoxy)-1H-pyrimidin-6-one?
2-ethyl-4-(2-fluorophenoxy)-1H-pyrimidin-6-one has a molecular weight of 234.23 g/mol, XLogP of 2.26, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-4-(2-fluorophenoxy)-1H-pyrimidin-6-one is sourced from PubChem (CID 103241071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).