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

C11H8ClFN2O2 — CID 114676539

IUPAC5-chloro-4-(4-fluoro-2-methylphenoxy)-1H-pyrimidin-6-one
SMILESCc1cc(F)ccc1Oc1nc[nH]c(=O)c1Cl
InChIInChI=1S/C11H8ClFN2O2/c1-6-4-7(13)2-3-8(6)17-11-9(12)10(16)14-5-15-11/h2-5H,1H3,(H,14,15,16)
InChIKeyOXYQINGPCGCUMV-UHFFFAOYSA-N
MW254.65 g/mol
LogP2.66
Rot. Bonds2

About 5-chloro-4-(4-fluoro-2-methylphenoxy)-1H-pyrimidin-6-one

5-chloro-4-(4-fluoro-2-methylphenoxy)-1H-pyrimidin-6-one (PubChem CID 114676539) has the molecular formula C11H8ClFN2O2 and a molecular weight of 254.65 g/mol. Its IUPAC name is 5-chloro-4-(4-fluoro-2-methylphenoxy)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-chloro-4-(4-fluoro-2-methylphenoxy)-1H-pyrimidin-6-one
PubChem CID114676539
Molecular FormulaC11H8ClFN2O2
Molecular Weight254.65 g/mol
Exact Mass254.03
IUPAC Name5-chloro-4-(4-fluoro-2-methylphenoxy)-1H-pyrimidin-6-one
SMILESCc1cc(F)ccc1Oc1nc[nH]c(=O)c1Cl
InChIInChI=1S/C11H8ClFN2O2/c1-6-4-7(13)2-3-8(6)17-11-9(12)10(16)14-5-15-11/h2-5H,1H3,(H,14,15,16)
InChIKeyOXYQINGPCGCUMV-UHFFFAOYSA-N
XLogP2.66
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.65
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-(4-fluoro-2-methylphenoxy)-1H-pyrimidin-6-one?
The IUPAC name of 5-chloro-4-(4-fluoro-2-methylphenoxy)-1H-pyrimidin-6-one (CID 114676539) is 5-chloro-4-(4-fluoro-2-methylphenoxy)-1H-pyrimidin-6-one.
What is the SMILES notation for 5-chloro-4-(4-fluoro-2-methylphenoxy)-1H-pyrimidin-6-one?
The canonical SMILES for 5-chloro-4-(4-fluoro-2-methylphenoxy)-1H-pyrimidin-6-one is Cc1cc(F)ccc1Oc1nc[nH]c(=O)c1Cl.
What is the InChIKey of 5-chloro-4-(4-fluoro-2-methylphenoxy)-1H-pyrimidin-6-one?
The InChIKey is OXYQINGPCGCUMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8ClFN2O2/c1-6-4-7(13)2-3-8(6)17-11-9(12)10(16)14-5-15-11/h2-5H,1H3,(H,14,15,16).
What are the key properties of 5-chloro-4-(4-fluoro-2-methylphenoxy)-1H-pyrimidin-6-one?
5-chloro-4-(4-fluoro-2-methylphenoxy)-1H-pyrimidin-6-one has a molecular weight of 254.65 g/mol, XLogP of 2.66, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4-(4-fluoro-2-methylphenoxy)-1H-pyrimidin-6-one is sourced from PubChem (CID 114676539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).