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

C11H8ClFN2O2 — CID 107170148

IUPAC5-chloro-4-(3-fluoro-4-methylphenoxy)-1H-pyrimidin-6-one
SMILESCc1ccc(Oc2nc[nH]c(=O)c2Cl)cc1F
InChIInChI=1S/C11H8ClFN2O2/c1-6-2-3-7(4-8(6)13)17-11-9(12)10(16)14-5-15-11/h2-5H,1H3,(H,14,15,16)
InChIKeyXYNVTRGRCCSLKH-UHFFFAOYSA-N
MW254.65 g/mol
LogP2.66
Rot. Bonds2

About 5-chloro-4-(3-fluoro-4-methylphenoxy)-1H-pyrimidin-6-one

5-chloro-4-(3-fluoro-4-methylphenoxy)-1H-pyrimidin-6-one (PubChem CID 107170148) has the molecular formula C11H8ClFN2O2 and a molecular weight of 254.65 g/mol. Its IUPAC name is 5-chloro-4-(3-fluoro-4-methylphenoxy)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-chloro-4-(3-fluoro-4-methylphenoxy)-1H-pyrimidin-6-one
PubChem CID107170148
Molecular FormulaC11H8ClFN2O2
Molecular Weight254.65 g/mol
Exact Mass254.03
IUPAC Name5-chloro-4-(3-fluoro-4-methylphenoxy)-1H-pyrimidin-6-one
SMILESCc1ccc(Oc2nc[nH]c(=O)c2Cl)cc1F
InChIInChI=1S/C11H8ClFN2O2/c1-6-2-3-7(4-8(6)13)17-11-9(12)10(16)14-5-15-11/h2-5H,1H3,(H,14,15,16)
InChIKeyXYNVTRGRCCSLKH-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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Related Compounds

5-amino-4-(3-fluoro-4-methylphenoxy)-1H-pyrimidin-6-one
CID 107171900
5-chloro-4-(4-fluoro-2-methylphenoxy)-1H-pyrimidin-6-one
CID 114676539
5-chloro-4-(4-chloro-2-methylphenoxy)-1H-pyrimidin-6-one
CID 114676044
4-(4-bromo-2-fluorophenoxy)-5-chloro-1H-pyrimidin-6-one
CID 114676189
5-chloro-4-[4-(methylamino)phenoxy]-1H-pyrimidin-6-one
CID 114580990
5-chloro-4-phenoxy-1H-pyrimidin-6-one
CID 114676015
5-chloro-4-(5,6,7,8-tetrahydronaphthalen-2-yloxy)-1H-pyrimidin-6-one
CID 114676337
3-chloro-2-(3-fluoro-4-methylphenoxy)pyridine-4-carboxylic acid
CID 107171003
4-[5-(aminomethyl)-2-methylphenoxy]-5-chloro-1H-pyrimidin-6-one
CID 107657400
4-(3,4-difluorophenoxy)-5-methoxy-1H-pyrimidin-6-one
CID 103241335
5-chloro-6-(3-fluoro-4-methylphenoxy)pyridine-3-carboxylic acid
CID 107168816
5-chloro-4-(2-chloro-4-methylphenoxy)-1H-pyrimidin-6-one
CID 114676397

Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-(3-fluoro-4-methylphenoxy)-1H-pyrimidin-6-one?
The IUPAC name of 5-chloro-4-(3-fluoro-4-methylphenoxy)-1H-pyrimidin-6-one (CID 107170148) is 5-chloro-4-(3-fluoro-4-methylphenoxy)-1H-pyrimidin-6-one.
What is the SMILES notation for 5-chloro-4-(3-fluoro-4-methylphenoxy)-1H-pyrimidin-6-one?
The canonical SMILES for 5-chloro-4-(3-fluoro-4-methylphenoxy)-1H-pyrimidin-6-one is Cc1ccc(Oc2nc[nH]c(=O)c2Cl)cc1F.
What is the InChIKey of 5-chloro-4-(3-fluoro-4-methylphenoxy)-1H-pyrimidin-6-one?
The InChIKey is XYNVTRGRCCSLKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8ClFN2O2/c1-6-2-3-7(4-8(6)13)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-(3-fluoro-4-methylphenoxy)-1H-pyrimidin-6-one?
5-chloro-4-(3-fluoro-4-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-(3-fluoro-4-methylphenoxy)-1H-pyrimidin-6-one is sourced from PubChem (CID 107170148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).