[3-(4,6-dimethylpyrimidin-2-yl)oxyphenyl]methanol

C13H14N2O2 — CID 79869654

IUPAC[3-(4,6-dimethylpyrimidin-2-yl)oxyphenyl]methanol
SMILESCc1cc(C)nc(Oc2cccc(CO)c2)n1
InChIInChI=1S/C13H14N2O2/c1-9-6-10(2)15-13(14-9)17-12-5-3-4-11(7-12)8-16/h3-7,16H,8H2,1-2H3
InChIKeyGHSUXXJYCDKUFW-UHFFFAOYSA-N
MW230.27 g/mol
LogP2.38
Rot. Bonds3

About [3-(4,6-dimethylpyrimidin-2-yl)oxyphenyl]methanol

[3-(4,6-dimethylpyrimidin-2-yl)oxyphenyl]methanol (PubChem CID 79869654) has the molecular formula C13H14N2O2 and a molecular weight of 230.27 g/mol. Its IUPAC name is [3-(4,6-dimethylpyrimidin-2-yl)oxyphenyl]methanol.

Molecular Properties

Compound Name[3-(4,6-dimethylpyrimidin-2-yl)oxyphenyl]methanol
PubChem CID79869654
Molecular FormulaC13H14N2O2
Molecular Weight230.27 g/mol
Exact Mass230.11
IUPAC Name[3-(4,6-dimethylpyrimidin-2-yl)oxyphenyl]methanol
SMILESCc1cc(C)nc(Oc2cccc(CO)c2)n1
InChIInChI=1S/C13H14N2O2/c1-9-6-10(2)15-13(14-9)17-12-5-3-4-11(7-12)8-16/h3-7,16H,8H2,1-2H3
InChIKeyGHSUXXJYCDKUFW-UHFFFAOYSA-N
XLogP2.38
TPSA55.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.27
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[3-[4-(aminomethyl)-6-methylpyrimidin-2-yl]oxyphenyl]methanol
CID 107542656
[3-[5-(hydroxymethyl)-4-methylpyrimidin-2-yl]oxyphenyl]methanol
CID 83184825
[3-(6-methyl-2-propan-2-ylpyrimidin-4-yl)oxyphenyl]methanol
CID 79868756
[3-(2-methylquinolin-4-yl)oxyphenyl]methanol
CID 79869243
2-(3-chlorophenoxy)-4,6-dimethylpyrimidine
CID 171984782
(3-methoxyphenyl)(113C)methanol
CID 11593446
[3-(3-fluorophenoxy)phenyl]methanol
CID 13255235
2-[3-(hydroxymethyl)phenoxy]pyrimidine-4-carbothioamide
CID 107548615
[3-(2-methoxyphenoxy)phenyl]methanol
CID 69315022
[3-(2-amino-6-methylphenoxy)phenyl]methanol
CID 115550948
[3-[(5-bromo-4-methyl-2-pyridinyl)oxy]phenyl]methanol
CID 114869670
[3-(6-amino-2-methylsulfanylpyrimidin-4-yl)oxyphenyl]methanol
CID 80872360

Frequently Asked Questions

What is the IUPAC name of [3-(4,6-dimethylpyrimidin-2-yl)oxyphenyl]methanol?
The IUPAC name of [3-(4,6-dimethylpyrimidin-2-yl)oxyphenyl]methanol (CID 79869654) is [3-(4,6-dimethylpyrimidin-2-yl)oxyphenyl]methanol.
What is the SMILES notation for [3-(4,6-dimethylpyrimidin-2-yl)oxyphenyl]methanol?
The canonical SMILES for [3-(4,6-dimethylpyrimidin-2-yl)oxyphenyl]methanol is Cc1cc(C)nc(Oc2cccc(CO)c2)n1.
What is the InChIKey of [3-(4,6-dimethylpyrimidin-2-yl)oxyphenyl]methanol?
The InChIKey is GHSUXXJYCDKUFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O2/c1-9-6-10(2)15-13(14-9)17-12-5-3-4-11(7-12)8-16/h3-7,16H,8H2,1-2H3.
What are the key properties of [3-(4,6-dimethylpyrimidin-2-yl)oxyphenyl]methanol?
[3-(4,6-dimethylpyrimidin-2-yl)oxyphenyl]methanol has a molecular weight of 230.27 g/mol, XLogP of 2.38, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(4,6-dimethylpyrimidin-2-yl)oxyphenyl]methanol is sourced from PubChem (CID 79869654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).