[4-(2-fluoro-3-methylphenoxy)-2-methylpyrimidin-5-yl]methanol

C13H13FN2O2 — CID 114215363

IUPAC[4-(2-fluoro-3-methylphenoxy)-2-methylpyrimidin-5-yl]methanol
SMILESCc1ncc(CO)c(Oc2cccc(C)c2F)n1
InChIInChI=1S/C13H13FN2O2/c1-8-4-3-5-11(12(8)14)18-13-10(7-17)6-15-9(2)16-13/h3-6,17H,7H2,1-2H3
InChIKeyQSRIBJMIBNNIAY-UHFFFAOYSA-N
MW248.26 g/mol
LogP2.52
Rot. Bonds3

About [4-(2-fluoro-3-methylphenoxy)-2-methylpyrimidin-5-yl]methanol

[4-(2-fluoro-3-methylphenoxy)-2-methylpyrimidin-5-yl]methanol (PubChem CID 114215363) has the molecular formula C13H13FN2O2 and a molecular weight of 248.26 g/mol. Its IUPAC name is [4-(2-fluoro-3-methylphenoxy)-2-methylpyrimidin-5-yl]methanol.

Molecular Properties

Compound Name[4-(2-fluoro-3-methylphenoxy)-2-methylpyrimidin-5-yl]methanol
PubChem CID114215363
Molecular FormulaC13H13FN2O2
Molecular Weight248.26 g/mol
Exact Mass248.10
IUPAC Name[4-(2-fluoro-3-methylphenoxy)-2-methylpyrimidin-5-yl]methanol
SMILESCc1ncc(CO)c(Oc2cccc(C)c2F)n1
InChIInChI=1S/C13H13FN2O2/c1-8-4-3-5-11(12(8)14)18-13-10(7-17)6-15-9(2)16-13/h3-6,17H,7H2,1-2H3
InChIKeyQSRIBJMIBNNIAY-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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Related Compounds

4-(2-fluoro-3-methylphenoxy)-2-methylpyrimidine-5-carbonitrile
CID 112755295
[1-(2-fluoro-3-methylphenoxy)isoquinolin-4-yl]methanamine
CID 107660852
[4-(5-bromo-2-chlorophenoxy)-2-methylpyrimidin-5-yl]methanol
CID 114215312
[4-(2-fluoro-3-methylphenoxy)quinolin-2-yl]methanol
CID 107660035
[2-(2-fluoro-3-methylphenoxy)-1,3-oxazol-4-yl]methanol
CID 107660027
[2-(2,3-difluorophenoxy)quinolin-3-yl]methanol
CID 63036604
4-(2-fluoro-3-methylphenoxy)pyrimidin-5-amine
CID 107655411
[4-[2-(dimethylamino)-2-methylpropoxy]-2-methylpyrimidin-5-yl]methanol
CID 114215326
5-(chloromethyl)-4-(3-methoxyphenoxy)-2-methylpyrimidine
CID 114215617
(4-cycloheptyloxy-2-methylpyrimidin-5-yl)methanol
CID 114215293
[2-[(3-methyl-2-pyridinyl)oxy]phenyl]methanol
CID 107713381
1-ethoxy-2-fluoro-3-methylbenzene
CID 59732440

Frequently Asked Questions

What is the IUPAC name of [4-(2-fluoro-3-methylphenoxy)-2-methylpyrimidin-5-yl]methanol?
The IUPAC name of [4-(2-fluoro-3-methylphenoxy)-2-methylpyrimidin-5-yl]methanol (CID 114215363) is [4-(2-fluoro-3-methylphenoxy)-2-methylpyrimidin-5-yl]methanol.
What is the SMILES notation for [4-(2-fluoro-3-methylphenoxy)-2-methylpyrimidin-5-yl]methanol?
The canonical SMILES for [4-(2-fluoro-3-methylphenoxy)-2-methylpyrimidin-5-yl]methanol is Cc1ncc(CO)c(Oc2cccc(C)c2F)n1.
What is the InChIKey of [4-(2-fluoro-3-methylphenoxy)-2-methylpyrimidin-5-yl]methanol?
The InChIKey is QSRIBJMIBNNIAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13FN2O2/c1-8-4-3-5-11(12(8)14)18-13-10(7-17)6-15-9(2)16-13/h3-6,17H,7H2,1-2H3.
What are the key properties of [4-(2-fluoro-3-methylphenoxy)-2-methylpyrimidin-5-yl]methanol?
[4-(2-fluoro-3-methylphenoxy)-2-methylpyrimidin-5-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 [4-(2-fluoro-3-methylphenoxy)-2-methylpyrimidin-5-yl]methanol is sourced from PubChem (CID 114215363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).