2-[[2-(2-methoxyphenyl)pyrimidin-4-yl]methoxy]ethanol

C14H16N2O3 — CID 170713846

IUPAC2-[[2-(2-methoxyphenyl)pyrimidin-4-yl]methoxy]ethanol
SMILESCOc1ccccc1-c1nccc(COCCO)n1
InChIInChI=1S/C14H16N2O3/c1-18-13-5-3-2-4-12(13)14-15-7-6-11(16-14)10-19-9-8-17/h2-7,17H,8-10H2,1H3
InChIKeyJSHCOAOAFSUWJT-UHFFFAOYSA-N
MW260.29 g/mol
LogP1.66
Rot. Bonds6

About 2-[[2-(2-methoxyphenyl)pyrimidin-4-yl]methoxy]ethanol

2-[[2-(2-methoxyphenyl)pyrimidin-4-yl]methoxy]ethanol (PubChem CID 170713846) has the molecular formula C14H16N2O3 and a molecular weight of 260.29 g/mol. Its IUPAC name is 2-[[2-(2-methoxyphenyl)pyrimidin-4-yl]methoxy]ethanol.

Molecular Properties

Compound Name2-[[2-(2-methoxyphenyl)pyrimidin-4-yl]methoxy]ethanol
PubChem CID170713846
Molecular FormulaC14H16N2O3
Molecular Weight260.29 g/mol
Exact Mass260.12
IUPAC Name2-[[2-(2-methoxyphenyl)pyrimidin-4-yl]methoxy]ethanol
SMILESCOc1ccccc1-c1nccc(COCCO)n1
InChIInChI=1S/C14H16N2O3/c1-18-13-5-3-2-4-12(13)14-15-7-6-11(16-14)10-19-9-8-17/h2-7,17H,8-10H2,1H3
InChIKeyJSHCOAOAFSUWJT-UHFFFAOYSA-N
XLogP1.66
TPSA64.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.29
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

[2-(2-methoxyphenyl)pyrimidin-4-yl]methanol
CID 62748662
3-[2-[[2-(2-methoxyphenyl)pyrimidin-4-yl]methoxy]phenyl]propanal
CID 175266949
[2-[2-(trideuteriomethoxy)phenyl]pyrimidin-4-yl]methanol
CID 118157470
2-[2-[[2-(2-methoxyphenyl)pyrimidin-4-yl]methoxy]phenyl]propanoic acid
CID 154247950
2-amino-3-[2-[[2-(2-methoxyphenyl)pyrimidin-4-yl]methoxy]phenyl]propanoic acid
CID 135322262
N-[[2-(2-ethoxyphenyl)pyrimidin-4-yl]methyl]ethanamine
CID 115534303
2-(2-methoxyphenyl)-4-pyrazin-2-ylpyrimidine
CID 174393307
2-(2-butoxyphenyl)-4-heptylpyrimidine
CID 54040696
2-[2-[2-(2-methoxyphenoxy)ethoxy]ethoxy]ethanol
CID 15049023
tert-butyl [2-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]pyrimidin-2-yl]phenyl] carbonate
CID 151183101
ethyl 3-[2-[2-(2-methoxyphenyl)pyrimidin-4-yl]phenyl]propanoate
CID 174895462
4-(chloromethyl)-2-(2-methoxyphenyl)-6-methylpyrimidine
CID 62744844

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(2-methoxyphenyl)pyrimidin-4-yl]methoxy]ethanol?
The IUPAC name of 2-[[2-(2-methoxyphenyl)pyrimidin-4-yl]methoxy]ethanol (CID 170713846) is 2-[[2-(2-methoxyphenyl)pyrimidin-4-yl]methoxy]ethanol.
What is the SMILES notation for 2-[[2-(2-methoxyphenyl)pyrimidin-4-yl]methoxy]ethanol?
The canonical SMILES for 2-[[2-(2-methoxyphenyl)pyrimidin-4-yl]methoxy]ethanol is COc1ccccc1-c1nccc(COCCO)n1.
What is the InChIKey of 2-[[2-(2-methoxyphenyl)pyrimidin-4-yl]methoxy]ethanol?
The InChIKey is JSHCOAOAFSUWJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O3/c1-18-13-5-3-2-4-12(13)14-15-7-6-11(16-14)10-19-9-8-17/h2-7,17H,8-10H2,1H3.
What are the key properties of 2-[[2-(2-methoxyphenyl)pyrimidin-4-yl]methoxy]ethanol?
2-[[2-(2-methoxyphenyl)pyrimidin-4-yl]methoxy]ethanol has a molecular weight of 260.29 g/mol, XLogP of 1.66, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(2-methoxyphenyl)pyrimidin-4-yl]methoxy]ethanol is sourced from PubChem (CID 170713846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).