5-[[6-(2-ethoxyphenyl)pyrimidin-4-yl]methyl]-2-methoxyphenol

C20H20N2O3 — CID 160551262

IUPAC5-[[6-(2-ethoxyphenyl)pyrimidin-4-yl]methyl]-2-methoxyphenol
SMILESCCOc1ccccc1-c1cc(Cc2ccc(OC)c(O)c2)ncn1
InChIInChI=1S/C20H20N2O3/c1-3-25-19-7-5-4-6-16(19)17-12-15(21-13-22-17)10-14-8-9-20(24-2)18(23)11-14/h4-9,11-13,23H,3,10H2,1-2H3
InChIKeyJIBQIMYNQIHGOJ-UHFFFAOYSA-N
MW336.39 g/mol
LogP3.85
Rot. Bonds6

About 5-[[6-(2-ethoxyphenyl)pyrimidin-4-yl]methyl]-2-methoxyphenol

5-[[6-(2-ethoxyphenyl)pyrimidin-4-yl]methyl]-2-methoxyphenol (PubChem CID 160551262) has the molecular formula C20H20N2O3 and a molecular weight of 336.39 g/mol. Its IUPAC name is 5-[[6-(2-ethoxyphenyl)pyrimidin-4-yl]methyl]-2-methoxyphenol.

Molecular Properties

Compound Name5-[[6-(2-ethoxyphenyl)pyrimidin-4-yl]methyl]-2-methoxyphenol
PubChem CID160551262
Molecular FormulaC20H20N2O3
Molecular Weight336.39 g/mol
Exact Mass336.15
IUPAC Name5-[[6-(2-ethoxyphenyl)pyrimidin-4-yl]methyl]-2-methoxyphenol
SMILESCCOc1ccccc1-c1cc(Cc2ccc(OC)c(O)c2)ncn1
InChIInChI=1S/C20H20N2O3/c1-3-25-19-7-5-4-6-16(19)17-12-15(21-13-22-17)10-14-8-9-20(24-2)18(23)11-14/h4-9,11-13,23H,3,10H2,1-2H3
InChIKeyJIBQIMYNQIHGOJ-UHFFFAOYSA-N
XLogP3.85
TPSA64.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.39
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[[6-(2-ethoxyphenyl)pyrimidin-4-yl]methyl]-2-methoxyphenol?
The IUPAC name of 5-[[6-(2-ethoxyphenyl)pyrimidin-4-yl]methyl]-2-methoxyphenol (CID 160551262) is 5-[[6-(2-ethoxyphenyl)pyrimidin-4-yl]methyl]-2-methoxyphenol.
What is the SMILES notation for 5-[[6-(2-ethoxyphenyl)pyrimidin-4-yl]methyl]-2-methoxyphenol?
The canonical SMILES for 5-[[6-(2-ethoxyphenyl)pyrimidin-4-yl]methyl]-2-methoxyphenol is CCOc1ccccc1-c1cc(Cc2ccc(OC)c(O)c2)ncn1.
What is the InChIKey of 5-[[6-(2-ethoxyphenyl)pyrimidin-4-yl]methyl]-2-methoxyphenol?
The InChIKey is JIBQIMYNQIHGOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O3/c1-3-25-19-7-5-4-6-16(19)17-12-15(21-13-22-17)10-14-8-9-20(24-2)18(23)11-14/h4-9,11-13,23H,3,10H2,1-2H3.
What are the key properties of 5-[[6-(2-ethoxyphenyl)pyrimidin-4-yl]methyl]-2-methoxyphenol?
5-[[6-(2-ethoxyphenyl)pyrimidin-4-yl]methyl]-2-methoxyphenol has a molecular weight of 336.39 g/mol, XLogP of 3.85, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[6-(2-ethoxyphenyl)pyrimidin-4-yl]methyl]-2-methoxyphenol is sourced from PubChem (CID 160551262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).