1-[4,6-bis(phenylmethoxy)pyrimidin-5-yl]ethanol

C20H20N2O3 — CID 2865233

IUPAC1-[4,6-bis(phenylmethoxy)pyrimidin-5-yl]ethanol
SMILESCC(O)c1c(OCc2ccccc2)ncnc1OCc1ccccc1
InChIInChI=1S/C20H20N2O3/c1-15(23)18-19(24-12-16-8-4-2-5-9-16)21-14-22-20(18)25-13-17-10-6-3-7-11-17/h2-11,14-15,23H,12-13H2,1H3
InChIKeyGPFODBUBOBYKBV-UHFFFAOYSA-N
MW336.39 g/mol
LogP3.69
Rot. Bonds7

About 1-[4,6-bis(phenylmethoxy)pyrimidin-5-yl]ethanol

1-[4,6-bis(phenylmethoxy)pyrimidin-5-yl]ethanol (PubChem CID 2865233) has the molecular formula C20H20N2O3 and a molecular weight of 336.39 g/mol. Its IUPAC name is 1-[4,6-bis(phenylmethoxy)pyrimidin-5-yl]ethanol.

Molecular Properties

Compound Name1-[4,6-bis(phenylmethoxy)pyrimidin-5-yl]ethanol
PubChem CID2865233
Molecular FormulaC20H20N2O3
Molecular Weight336.39 g/mol
Exact Mass336.15
IUPAC Name1-[4,6-bis(phenylmethoxy)pyrimidin-5-yl]ethanol
SMILESCC(O)c1c(OCc2ccccc2)ncnc1OCc1ccccc1
InChIInChI=1S/C20H20N2O3/c1-15(23)18-19(24-12-16-8-4-2-5-9-16)21-14-22-20(18)25-13-17-10-6-3-7-11-17/h2-11,14-15,23H,12-13H2,1H3
InChIKeyGPFODBUBOBYKBV-UHFFFAOYSA-N
XLogP3.69
TPSA64.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.39
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[4,6-bis(phenylmethoxy)pyrimidin-5-yl]ethanol?
The IUPAC name of 1-[4,6-bis(phenylmethoxy)pyrimidin-5-yl]ethanol (CID 2865233) is 1-[4,6-bis(phenylmethoxy)pyrimidin-5-yl]ethanol.
What is the SMILES notation for 1-[4,6-bis(phenylmethoxy)pyrimidin-5-yl]ethanol?
The canonical SMILES for 1-[4,6-bis(phenylmethoxy)pyrimidin-5-yl]ethanol is CC(O)c1c(OCc2ccccc2)ncnc1OCc1ccccc1.
What is the InChIKey of 1-[4,6-bis(phenylmethoxy)pyrimidin-5-yl]ethanol?
The InChIKey is GPFODBUBOBYKBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O3/c1-15(23)18-19(24-12-16-8-4-2-5-9-16)21-14-22-20(18)25-13-17-10-6-3-7-11-17/h2-11,14-15,23H,12-13H2,1H3.
What are the key properties of 1-[4,6-bis(phenylmethoxy)pyrimidin-5-yl]ethanol?
1-[4,6-bis(phenylmethoxy)pyrimidin-5-yl]ethanol has a molecular weight of 336.39 g/mol, XLogP of 3.69, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4,6-bis(phenylmethoxy)pyrimidin-5-yl]ethanol is sourced from PubChem (CID 2865233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).