2-(5-butylpyrimidin-4-yl)oxyethanol

C10H16N2O2 — CID 58242254

IUPAC2-(5-butylpyrimidin-4-yl)oxyethanol
SMILESCCCCc1cncnc1OCCO
InChIInChI=1S/C10H16N2O2/c1-2-3-4-9-7-11-8-12-10(9)14-6-5-13/h7-8,13H,2-6H2,1H3
InChIKeyGBAYRTZECIHWTF-UHFFFAOYSA-N
MW196.25 g/mol
LogP1.19
Rot. Bonds6

About 2-(5-butylpyrimidin-4-yl)oxyethanol

2-(5-butylpyrimidin-4-yl)oxyethanol (PubChem CID 58242254) has the molecular formula C10H16N2O2 and a molecular weight of 196.25 g/mol. Its IUPAC name is 2-(5-butylpyrimidin-4-yl)oxyethanol.

Molecular Properties

Compound Name2-(5-butylpyrimidin-4-yl)oxyethanol
PubChem CID58242254
Molecular FormulaC10H16N2O2
Molecular Weight196.25 g/mol
Exact Mass196.12
IUPAC Name2-(5-butylpyrimidin-4-yl)oxyethanol
SMILESCCCCc1cncnc1OCCO
InChIInChI=1S/C10H16N2O2/c1-2-3-4-9-7-11-8-12-10(9)14-6-5-13/h7-8,13H,2-6H2,1H3
InChIKeyGBAYRTZECIHWTF-UHFFFAOYSA-N
XLogP1.19
TPSA55.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.25
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(5-butylpyrimidin-4-yl)oxyethanol?
The IUPAC name of 2-(5-butylpyrimidin-4-yl)oxyethanol (CID 58242254) is 2-(5-butylpyrimidin-4-yl)oxyethanol.
What is the SMILES notation for 2-(5-butylpyrimidin-4-yl)oxyethanol?
The canonical SMILES for 2-(5-butylpyrimidin-4-yl)oxyethanol is CCCCc1cncnc1OCCO.
What is the InChIKey of 2-(5-butylpyrimidin-4-yl)oxyethanol?
The InChIKey is GBAYRTZECIHWTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O2/c1-2-3-4-9-7-11-8-12-10(9)14-6-5-13/h7-8,13H,2-6H2,1H3.
What are the key properties of 2-(5-butylpyrimidin-4-yl)oxyethanol?
2-(5-butylpyrimidin-4-yl)oxyethanol has a molecular weight of 196.25 g/mol, XLogP of 1.19, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-butylpyrimidin-4-yl)oxyethanol is sourced from PubChem (CID 58242254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).