2-ethyl-4-(oxan-2-ylmethoxy)-1H-pyrimidin-6-one

C12H18N2O3 — CID 103240695

IUPAC2-ethyl-4-(oxan-2-ylmethoxy)-1H-pyrimidin-6-one
SMILESCCc1nc(OCC2CCCCO2)cc(=O)[nH]1
InChIInChI=1S/C12H18N2O3/c1-2-10-13-11(15)7-12(14-10)17-8-9-5-3-4-6-16-9/h7,9H,2-6,8H2,1H3,(H,13,14,15)
InChIKeyHSJUBXOUQCENMR-UHFFFAOYSA-N
MW238.29 g/mol
LogP1.28
Rot. Bonds4

About 2-ethyl-4-(oxan-2-ylmethoxy)-1H-pyrimidin-6-one

2-ethyl-4-(oxan-2-ylmethoxy)-1H-pyrimidin-6-one (PubChem CID 103240695) has the molecular formula C12H18N2O3 and a molecular weight of 238.29 g/mol. Its IUPAC name is 2-ethyl-4-(oxan-2-ylmethoxy)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-ethyl-4-(oxan-2-ylmethoxy)-1H-pyrimidin-6-one
PubChem CID103240695
Molecular FormulaC12H18N2O3
Molecular Weight238.29 g/mol
Exact Mass238.13
IUPAC Name2-ethyl-4-(oxan-2-ylmethoxy)-1H-pyrimidin-6-one
SMILESCCc1nc(OCC2CCCCO2)cc(=O)[nH]1
InChIInChI=1S/C12H18N2O3/c1-2-10-13-11(15)7-12(14-10)17-8-9-5-3-4-6-16-9/h7,9H,2-6,8H2,1H3,(H,13,14,15)
InChIKeyHSJUBXOUQCENMR-UHFFFAOYSA-N
XLogP1.28
TPSA64.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-4-(oxan-2-ylmethoxy)-1H-pyrimidin-6-one?
The IUPAC name of 2-ethyl-4-(oxan-2-ylmethoxy)-1H-pyrimidin-6-one (CID 103240695) is 2-ethyl-4-(oxan-2-ylmethoxy)-1H-pyrimidin-6-one.
What is the SMILES notation for 2-ethyl-4-(oxan-2-ylmethoxy)-1H-pyrimidin-6-one?
The canonical SMILES for 2-ethyl-4-(oxan-2-ylmethoxy)-1H-pyrimidin-6-one is CCc1nc(OCC2CCCCO2)cc(=O)[nH]1.
What is the InChIKey of 2-ethyl-4-(oxan-2-ylmethoxy)-1H-pyrimidin-6-one?
The InChIKey is HSJUBXOUQCENMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O3/c1-2-10-13-11(15)7-12(14-10)17-8-9-5-3-4-6-16-9/h7,9H,2-6,8H2,1H3,(H,13,14,15).
What are the key properties of 2-ethyl-4-(oxan-2-ylmethoxy)-1H-pyrimidin-6-one?
2-ethyl-4-(oxan-2-ylmethoxy)-1H-pyrimidin-6-one has a molecular weight of 238.29 g/mol, XLogP of 1.28, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-4-(oxan-2-ylmethoxy)-1H-pyrimidin-6-one is sourced from PubChem (CID 103240695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).