4-(2-cyclobutylethoxy)-5-methoxy-1H-pyrimidin-6-one

C11H16N2O3 — CID 106207974

IUPAC4-(2-cyclobutylethoxy)-5-methoxy-1H-pyrimidin-6-one
SMILESCOc1c(OCCC2CCC2)nc[nH]c1=O
InChIInChI=1S/C11H16N2O3/c1-15-9-10(14)12-7-13-11(9)16-6-5-8-3-2-4-8/h7-8H,2-6H2,1H3,(H,12,13,14)
InChIKeyAPJXTQKTYKCXIE-UHFFFAOYSA-N
MW224.26 g/mol
LogP1.35
Rot. Bonds5

About 4-(2-cyclobutylethoxy)-5-methoxy-1H-pyrimidin-6-one

4-(2-cyclobutylethoxy)-5-methoxy-1H-pyrimidin-6-one (PubChem CID 106207974) has the molecular formula C11H16N2O3 and a molecular weight of 224.26 g/mol. Its IUPAC name is 4-(2-cyclobutylethoxy)-5-methoxy-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-(2-cyclobutylethoxy)-5-methoxy-1H-pyrimidin-6-one
PubChem CID106207974
Molecular FormulaC11H16N2O3
Molecular Weight224.26 g/mol
Exact Mass224.12
IUPAC Name4-(2-cyclobutylethoxy)-5-methoxy-1H-pyrimidin-6-one
SMILESCOc1c(OCCC2CCC2)nc[nH]c1=O
InChIInChI=1S/C11H16N2O3/c1-15-9-10(14)12-7-13-11(9)16-6-5-8-3-2-4-8/h7-8H,2-6H2,1H3,(H,12,13,14)
InChIKeyAPJXTQKTYKCXIE-UHFFFAOYSA-N
XLogP1.35
TPSA64.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.26
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(2-cyclobutylethoxy)-5-methoxy-1H-pyrimidin-6-one?
The IUPAC name of 4-(2-cyclobutylethoxy)-5-methoxy-1H-pyrimidin-6-one (CID 106207974) is 4-(2-cyclobutylethoxy)-5-methoxy-1H-pyrimidin-6-one.
What is the SMILES notation for 4-(2-cyclobutylethoxy)-5-methoxy-1H-pyrimidin-6-one?
The canonical SMILES for 4-(2-cyclobutylethoxy)-5-methoxy-1H-pyrimidin-6-one is COc1c(OCCC2CCC2)nc[nH]c1=O.
What is the InChIKey of 4-(2-cyclobutylethoxy)-5-methoxy-1H-pyrimidin-6-one?
The InChIKey is APJXTQKTYKCXIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O3/c1-15-9-10(14)12-7-13-11(9)16-6-5-8-3-2-4-8/h7-8H,2-6H2,1H3,(H,12,13,14).
What are the key properties of 4-(2-cyclobutylethoxy)-5-methoxy-1H-pyrimidin-6-one?
4-(2-cyclobutylethoxy)-5-methoxy-1H-pyrimidin-6-one has a molecular weight of 224.26 g/mol, XLogP of 1.35, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-cyclobutylethoxy)-5-methoxy-1H-pyrimidin-6-one is sourced from PubChem (CID 106207974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).