4-(2-fluoro-3-methylphenoxy)-1H-pyrimidin-6-one

C11H9FN2O2 — CID 107663074

IUPAC4-(2-fluoro-3-methylphenoxy)-1H-pyrimidin-6-one
SMILESCc1cccc(Oc2cc(=O)[nH]cn2)c1F
InChIInChI=1S/C11H9FN2O2/c1-7-3-2-4-8(11(7)12)16-10-5-9(15)13-6-14-10/h2-6H,1H3,(H,13,14,15)
InChIKeyRNXXBVHXAQBQOH-UHFFFAOYSA-N
MW220.20 g/mol
LogP2.01
Rot. Bonds2

About 4-(2-fluoro-3-methylphenoxy)-1H-pyrimidin-6-one

4-(2-fluoro-3-methylphenoxy)-1H-pyrimidin-6-one (PubChem CID 107663074) has the molecular formula C11H9FN2O2 and a molecular weight of 220.20 g/mol. Its IUPAC name is 4-(2-fluoro-3-methylphenoxy)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-(2-fluoro-3-methylphenoxy)-1H-pyrimidin-6-one
PubChem CID107663074
Molecular FormulaC11H9FN2O2
Molecular Weight220.20 g/mol
Exact Mass220.06
IUPAC Name4-(2-fluoro-3-methylphenoxy)-1H-pyrimidin-6-one
SMILESCc1cccc(Oc2cc(=O)[nH]cn2)c1F
InChIInChI=1S/C11H9FN2O2/c1-7-3-2-4-8(11(7)12)16-10-5-9(15)13-6-14-10/h2-6H,1H3,(H,13,14,15)
InChIKeyRNXXBVHXAQBQOH-UHFFFAOYSA-N
XLogP2.01
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.20
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(2-fluoro-3-methylphenoxy)-1H-pyrimidin-6-one?
The IUPAC name of 4-(2-fluoro-3-methylphenoxy)-1H-pyrimidin-6-one (CID 107663074) is 4-(2-fluoro-3-methylphenoxy)-1H-pyrimidin-6-one.
What is the SMILES notation for 4-(2-fluoro-3-methylphenoxy)-1H-pyrimidin-6-one?
The canonical SMILES for 4-(2-fluoro-3-methylphenoxy)-1H-pyrimidin-6-one is Cc1cccc(Oc2cc(=O)[nH]cn2)c1F.
What is the InChIKey of 4-(2-fluoro-3-methylphenoxy)-1H-pyrimidin-6-one?
The InChIKey is RNXXBVHXAQBQOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9FN2O2/c1-7-3-2-4-8(11(7)12)16-10-5-9(15)13-6-14-10/h2-6H,1H3,(H,13,14,15).
What are the key properties of 4-(2-fluoro-3-methylphenoxy)-1H-pyrimidin-6-one?
4-(2-fluoro-3-methylphenoxy)-1H-pyrimidin-6-one has a molecular weight of 220.20 g/mol, XLogP of 2.01, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-fluoro-3-methylphenoxy)-1H-pyrimidin-6-one is sourced from PubChem (CID 107663074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).