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

C11H9FN2O2 — CID 107171904

IUPAC4-(3-fluoro-4-methylphenoxy)-1H-pyrimidin-6-one
SMILESCc1ccc(Oc2cc(=O)[nH]cn2)cc1F
InChIInChI=1S/C11H9FN2O2/c1-7-2-3-8(4-9(7)12)16-11-5-10(15)13-6-14-11/h2-6H,1H3,(H,13,14,15)
InChIKeyPIMWKEAAMLGLDM-UHFFFAOYSA-N
MW220.20 g/mol
LogP2.01
Rot. Bonds2

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

4-(3-fluoro-4-methylphenoxy)-1H-pyrimidin-6-one (PubChem CID 107171904) has the molecular formula C11H9FN2O2 and a molecular weight of 220.20 g/mol. Its IUPAC name is 4-(3-fluoro-4-methylphenoxy)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-(3-fluoro-4-methylphenoxy)-1H-pyrimidin-6-one
PubChem CID107171904
Molecular FormulaC11H9FN2O2
Molecular Weight220.20 g/mol
Exact Mass220.06
IUPAC Name4-(3-fluoro-4-methylphenoxy)-1H-pyrimidin-6-one
SMILESCc1ccc(Oc2cc(=O)[nH]cn2)cc1F
InChIInChI=1S/C11H9FN2O2/c1-7-2-3-8(4-9(7)12)16-11-5-10(15)13-6-14-11/h2-6H,1H3,(H,13,14,15)
InChIKeyPIMWKEAAMLGLDM-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-(3-fluoro-4-methylphenoxy)-1H-pyrimidin-6-one?
The IUPAC name of 4-(3-fluoro-4-methylphenoxy)-1H-pyrimidin-6-one (CID 107171904) is 4-(3-fluoro-4-methylphenoxy)-1H-pyrimidin-6-one.
What is the SMILES notation for 4-(3-fluoro-4-methylphenoxy)-1H-pyrimidin-6-one?
The canonical SMILES for 4-(3-fluoro-4-methylphenoxy)-1H-pyrimidin-6-one is Cc1ccc(Oc2cc(=O)[nH]cn2)cc1F.
What is the InChIKey of 4-(3-fluoro-4-methylphenoxy)-1H-pyrimidin-6-one?
The InChIKey is PIMWKEAAMLGLDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9FN2O2/c1-7-2-3-8(4-9(7)12)16-11-5-10(15)13-6-14-11/h2-6H,1H3,(H,13,14,15).
What are the key properties of 4-(3-fluoro-4-methylphenoxy)-1H-pyrimidin-6-one?
4-(3-fluoro-4-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-(3-fluoro-4-methylphenoxy)-1H-pyrimidin-6-one is sourced from PubChem (CID 107171904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).