3-[(5-methyloxolan-2-yl)methyl]pyrimidin-4-one

C10H14N2O2 — CID 103140287

IUPAC3-[(5-methyloxolan-2-yl)methyl]pyrimidin-4-one
SMILESCC1CCC(Cn2cnccc2=O)O1
InChIInChI=1S/C10H14N2O2/c1-8-2-3-9(14-8)6-12-7-11-5-4-10(12)13/h4-5,7-9H,2-3,6H2,1H3
InChIKeyXZYDRNPKFACFER-UHFFFAOYSA-N
MW194.23 g/mol
LogP0.81
Rot. Bonds2

About 3-[(5-methyloxolan-2-yl)methyl]pyrimidin-4-one

3-[(5-methyloxolan-2-yl)methyl]pyrimidin-4-one (PubChem CID 103140287) has the molecular formula C10H14N2O2 and a molecular weight of 194.23 g/mol. Its IUPAC name is 3-[(5-methyloxolan-2-yl)methyl]pyrimidin-4-one.

Molecular Properties

Compound Name3-[(5-methyloxolan-2-yl)methyl]pyrimidin-4-one
PubChem CID103140287
Molecular FormulaC10H14N2O2
Molecular Weight194.23 g/mol
Exact Mass194.11
IUPAC Name3-[(5-methyloxolan-2-yl)methyl]pyrimidin-4-one
SMILESCC1CCC(Cn2cnccc2=O)O1
InChIInChI=1S/C10H14N2O2/c1-8-2-3-9(14-8)6-12-7-11-5-4-10(12)13/h4-5,7-9H,2-3,6H2,1H3
InChIKeyXZYDRNPKFACFER-UHFFFAOYSA-N
XLogP0.81
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.23
LogP ≤ 50.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[(5-methyloxolan-2-yl)methyl]pyrimidin-4-one?
The IUPAC name of 3-[(5-methyloxolan-2-yl)methyl]pyrimidin-4-one (CID 103140287) is 3-[(5-methyloxolan-2-yl)methyl]pyrimidin-4-one.
What is the SMILES notation for 3-[(5-methyloxolan-2-yl)methyl]pyrimidin-4-one?
The canonical SMILES for 3-[(5-methyloxolan-2-yl)methyl]pyrimidin-4-one is CC1CCC(Cn2cnccc2=O)O1.
What is the InChIKey of 3-[(5-methyloxolan-2-yl)methyl]pyrimidin-4-one?
The InChIKey is XZYDRNPKFACFER-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O2/c1-8-2-3-9(14-8)6-12-7-11-5-4-10(12)13/h4-5,7-9H,2-3,6H2,1H3.
What are the key properties of 3-[(5-methyloxolan-2-yl)methyl]pyrimidin-4-one?
3-[(5-methyloxolan-2-yl)methyl]pyrimidin-4-one has a molecular weight of 194.23 g/mol, XLogP of 0.81, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-methyloxolan-2-yl)methyl]pyrimidin-4-one is sourced from PubChem (CID 103140287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).