3-[2-hydroxy-2-(oxolan-3-yl)ethyl]-6-methylpyrimidin-4-one

C11H16N2O3 — CID 104753184

IUPAC3-[2-hydroxy-2-(oxolan-3-yl)ethyl]-6-methylpyrimidin-4-one
SMILESCc1cc(=O)n(CC(O)C2CCOC2)cn1
InChIInChI=1S/C11H16N2O3/c1-8-4-11(15)13(7-12-8)5-10(14)9-2-3-16-6-9/h4,7,9-10,14H,2-3,5-6H2,1H3
InChIKeyFXRRQHBIULJBEI-UHFFFAOYSA-N
MW224.26 g/mol
LogP-0.05
Rot. Bonds3

About 3-[2-hydroxy-2-(oxolan-3-yl)ethyl]-6-methylpyrimidin-4-one

3-[2-hydroxy-2-(oxolan-3-yl)ethyl]-6-methylpyrimidin-4-one (PubChem CID 104753184) has the molecular formula C11H16N2O3 and a molecular weight of 224.26 g/mol. Its IUPAC name is 3-[2-hydroxy-2-(oxolan-3-yl)ethyl]-6-methylpyrimidin-4-one.

Molecular Properties

Compound Name3-[2-hydroxy-2-(oxolan-3-yl)ethyl]-6-methylpyrimidin-4-one
PubChem CID104753184
Molecular FormulaC11H16N2O3
Molecular Weight224.26 g/mol
Exact Mass224.12
IUPAC Name3-[2-hydroxy-2-(oxolan-3-yl)ethyl]-6-methylpyrimidin-4-one
SMILESCc1cc(=O)n(CC(O)C2CCOC2)cn1
InChIInChI=1S/C11H16N2O3/c1-8-4-11(15)13(7-12-8)5-10(14)9-2-3-16-6-9/h4,7,9-10,14H,2-3,5-6H2,1H3
InChIKeyFXRRQHBIULJBEI-UHFFFAOYSA-N
XLogP-0.05
TPSA64.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.26
LogP ≤ 5-0.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[2-hydroxy-2-(oxolan-3-yl)ethyl]-6-methylpyrimidin-4-one?
The IUPAC name of 3-[2-hydroxy-2-(oxolan-3-yl)ethyl]-6-methylpyrimidin-4-one (CID 104753184) is 3-[2-hydroxy-2-(oxolan-3-yl)ethyl]-6-methylpyrimidin-4-one.
What is the SMILES notation for 3-[2-hydroxy-2-(oxolan-3-yl)ethyl]-6-methylpyrimidin-4-one?
The canonical SMILES for 3-[2-hydroxy-2-(oxolan-3-yl)ethyl]-6-methylpyrimidin-4-one is Cc1cc(=O)n(CC(O)C2CCOC2)cn1.
What is the InChIKey of 3-[2-hydroxy-2-(oxolan-3-yl)ethyl]-6-methylpyrimidin-4-one?
The InChIKey is FXRRQHBIULJBEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O3/c1-8-4-11(15)13(7-12-8)5-10(14)9-2-3-16-6-9/h4,7,9-10,14H,2-3,5-6H2,1H3.
What are the key properties of 3-[2-hydroxy-2-(oxolan-3-yl)ethyl]-6-methylpyrimidin-4-one?
3-[2-hydroxy-2-(oxolan-3-yl)ethyl]-6-methylpyrimidin-4-one has a molecular weight of 224.26 g/mol, XLogP of -0.05, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-hydroxy-2-(oxolan-3-yl)ethyl]-6-methylpyrimidin-4-one is sourced from PubChem (CID 104753184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).