4-cyclopentyl-2-(oxan-3-yl)-1H-pyrimidin-6-one

C14H20N2O2 — CID 136964441

IUPAC4-cyclopentyl-2-(oxan-3-yl)-1H-pyrimidin-6-one
SMILESO=c1cc(C2CCCC2)nc(C2CCCOC2)[nH]1
InChIInChI=1S/C14H20N2O2/c17-13-8-12(10-4-1-2-5-10)15-14(16-13)11-6-3-7-18-9-11/h8,10-11H,1-7,9H2,(H,15,16,17)
InChIKeyTWCHEDYBULIXAO-UHFFFAOYSA-N
MW248.33 g/mol
LogP2.32
Rot. Bonds2

About 4-cyclopentyl-2-(oxan-3-yl)-1H-pyrimidin-6-one

4-cyclopentyl-2-(oxan-3-yl)-1H-pyrimidin-6-one (PubChem CID 136964441) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is 4-cyclopentyl-2-(oxan-3-yl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-cyclopentyl-2-(oxan-3-yl)-1H-pyrimidin-6-one
PubChem CID136964441
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC Name4-cyclopentyl-2-(oxan-3-yl)-1H-pyrimidin-6-one
SMILESO=c1cc(C2CCCC2)nc(C2CCCOC2)[nH]1
InChIInChI=1S/C14H20N2O2/c17-13-8-12(10-4-1-2-5-10)15-14(16-13)11-6-3-7-18-9-11/h8,10-11H,1-7,9H2,(H,15,16,17)
InChIKeyTWCHEDYBULIXAO-UHFFFAOYSA-N
XLogP2.32
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-cyclopentyl-2-(oxan-3-yl)-1H-pyrimidin-6-one?
The IUPAC name of 4-cyclopentyl-2-(oxan-3-yl)-1H-pyrimidin-6-one (CID 136964441) is 4-cyclopentyl-2-(oxan-3-yl)-1H-pyrimidin-6-one.
What is the SMILES notation for 4-cyclopentyl-2-(oxan-3-yl)-1H-pyrimidin-6-one?
The canonical SMILES for 4-cyclopentyl-2-(oxan-3-yl)-1H-pyrimidin-6-one is O=c1cc(C2CCCC2)nc(C2CCCOC2)[nH]1.
What is the InChIKey of 4-cyclopentyl-2-(oxan-3-yl)-1H-pyrimidin-6-one?
The InChIKey is TWCHEDYBULIXAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2/c17-13-8-12(10-4-1-2-5-10)15-14(16-13)11-6-3-7-18-9-11/h8,10-11H,1-7,9H2,(H,15,16,17).
What are the key properties of 4-cyclopentyl-2-(oxan-3-yl)-1H-pyrimidin-6-one?
4-cyclopentyl-2-(oxan-3-yl)-1H-pyrimidin-6-one has a molecular weight of 248.33 g/mol, XLogP of 2.32, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopentyl-2-(oxan-3-yl)-1H-pyrimidin-6-one is sourced from PubChem (CID 136964441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).