2-[4-[5-(hydroxymethyl)-4-methylpyrimidin-2-yl]oxyphenyl]ethanol

C14H16N2O3 — CID 107709771

IUPAC2-[4-[5-(hydroxymethyl)-4-methylpyrimidin-2-yl]oxyphenyl]ethanol
SMILESCc1nc(Oc2ccc(CCO)cc2)ncc1CO
InChIInChI=1S/C14H16N2O3/c1-10-12(9-18)8-15-14(16-10)19-13-4-2-11(3-5-13)6-7-17/h2-5,8,17-18H,6-7,9H2,1H3
InChIKeyLPSZASQTTBRNOR-UHFFFAOYSA-N
MW260.29 g/mol
LogP1.60
Rot. Bonds5

About 2-[4-[5-(hydroxymethyl)-4-methylpyrimidin-2-yl]oxyphenyl]ethanol

2-[4-[5-(hydroxymethyl)-4-methylpyrimidin-2-yl]oxyphenyl]ethanol (PubChem CID 107709771) has the molecular formula C14H16N2O3 and a molecular weight of 260.29 g/mol. Its IUPAC name is 2-[4-[5-(hydroxymethyl)-4-methylpyrimidin-2-yl]oxyphenyl]ethanol.

Molecular Properties

Compound Name2-[4-[5-(hydroxymethyl)-4-methylpyrimidin-2-yl]oxyphenyl]ethanol
PubChem CID107709771
Molecular FormulaC14H16N2O3
Molecular Weight260.29 g/mol
Exact Mass260.12
IUPAC Name2-[4-[5-(hydroxymethyl)-4-methylpyrimidin-2-yl]oxyphenyl]ethanol
SMILESCc1nc(Oc2ccc(CCO)cc2)ncc1CO
InChIInChI=1S/C14H16N2O3/c1-10-12(9-18)8-15-14(16-10)19-13-4-2-11(3-5-13)6-7-17/h2-5,8,17-18H,6-7,9H2,1H3
InChIKeyLPSZASQTTBRNOR-UHFFFAOYSA-N
XLogP1.60
TPSA75.47 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.29
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[5-(hydroxymethyl)-4-methylpyrimidin-2-yl]oxyphenyl]ethanol?
The IUPAC name of 2-[4-[5-(hydroxymethyl)-4-methylpyrimidin-2-yl]oxyphenyl]ethanol (CID 107709771) is 2-[4-[5-(hydroxymethyl)-4-methylpyrimidin-2-yl]oxyphenyl]ethanol.
What is the SMILES notation for 2-[4-[5-(hydroxymethyl)-4-methylpyrimidin-2-yl]oxyphenyl]ethanol?
The canonical SMILES for 2-[4-[5-(hydroxymethyl)-4-methylpyrimidin-2-yl]oxyphenyl]ethanol is Cc1nc(Oc2ccc(CCO)cc2)ncc1CO.
What is the InChIKey of 2-[4-[5-(hydroxymethyl)-4-methylpyrimidin-2-yl]oxyphenyl]ethanol?
The InChIKey is LPSZASQTTBRNOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O3/c1-10-12(9-18)8-15-14(16-10)19-13-4-2-11(3-5-13)6-7-17/h2-5,8,17-18H,6-7,9H2,1H3.
What are the key properties of 2-[4-[5-(hydroxymethyl)-4-methylpyrimidin-2-yl]oxyphenyl]ethanol?
2-[4-[5-(hydroxymethyl)-4-methylpyrimidin-2-yl]oxyphenyl]ethanol has a molecular weight of 260.29 g/mol, XLogP of 1.60, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[5-(hydroxymethyl)-4-methylpyrimidin-2-yl]oxyphenyl]ethanol is sourced from PubChem (CID 107709771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).