[2-(2-fluoro-5-methylphenoxy)-6-methylpyrimidin-4-yl]methanol

C13H13FN2O2 — CID 114219978

IUPAC[2-(2-fluoro-5-methylphenoxy)-6-methylpyrimidin-4-yl]methanol
SMILESCc1ccc(F)c(Oc2nc(C)cc(CO)n2)c1
InChIInChI=1S/C13H13FN2O2/c1-8-3-4-11(14)12(5-8)18-13-15-9(2)6-10(7-17)16-13/h3-6,17H,7H2,1-2H3
InChIKeyKCCXKTRMTAMXMY-UHFFFAOYSA-N
MW248.26 g/mol
LogP2.52
Rot. Bonds3

About [2-(2-fluoro-5-methylphenoxy)-6-methylpyrimidin-4-yl]methanol

[2-(2-fluoro-5-methylphenoxy)-6-methylpyrimidin-4-yl]methanol (PubChem CID 114219978) has the molecular formula C13H13FN2O2 and a molecular weight of 248.26 g/mol. Its IUPAC name is [2-(2-fluoro-5-methylphenoxy)-6-methylpyrimidin-4-yl]methanol.

Molecular Properties

Compound Name[2-(2-fluoro-5-methylphenoxy)-6-methylpyrimidin-4-yl]methanol
PubChem CID114219978
Molecular FormulaC13H13FN2O2
Molecular Weight248.26 g/mol
Exact Mass248.10
IUPAC Name[2-(2-fluoro-5-methylphenoxy)-6-methylpyrimidin-4-yl]methanol
SMILESCc1ccc(F)c(Oc2nc(C)cc(CO)n2)c1
InChIInChI=1S/C13H13FN2O2/c1-8-3-4-11(14)12(5-8)18-13-15-9(2)6-10(7-17)16-13/h3-6,17H,7H2,1-2H3
InChIKeyKCCXKTRMTAMXMY-UHFFFAOYSA-N
XLogP2.52
TPSA55.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.26
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [2-(2-fluoro-5-methylphenoxy)-6-methylpyrimidin-4-yl]methanol?
The IUPAC name of [2-(2-fluoro-5-methylphenoxy)-6-methylpyrimidin-4-yl]methanol (CID 114219978) is [2-(2-fluoro-5-methylphenoxy)-6-methylpyrimidin-4-yl]methanol.
What is the SMILES notation for [2-(2-fluoro-5-methylphenoxy)-6-methylpyrimidin-4-yl]methanol?
The canonical SMILES for [2-(2-fluoro-5-methylphenoxy)-6-methylpyrimidin-4-yl]methanol is Cc1ccc(F)c(Oc2nc(C)cc(CO)n2)c1.
What is the InChIKey of [2-(2-fluoro-5-methylphenoxy)-6-methylpyrimidin-4-yl]methanol?
The InChIKey is KCCXKTRMTAMXMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13FN2O2/c1-8-3-4-11(14)12(5-8)18-13-15-9(2)6-10(7-17)16-13/h3-6,17H,7H2,1-2H3.
What are the key properties of [2-(2-fluoro-5-methylphenoxy)-6-methylpyrimidin-4-yl]methanol?
[2-(2-fluoro-5-methylphenoxy)-6-methylpyrimidin-4-yl]methanol has a molecular weight of 248.26 g/mol, XLogP of 2.52, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-fluoro-5-methylphenoxy)-6-methylpyrimidin-4-yl]methanol is sourced from PubChem (CID 114219978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).