2-(1-ethoxy-2-methylpropyl)-5-ethyl-4-methyl-1H-pyrimidin-6-one

C13H22N2O2 — CID 136997613

IUPAC2-(1-ethoxy-2-methylpropyl)-5-ethyl-4-methyl-1H-pyrimidin-6-one
SMILESCCOC(c1nc(C)c(CC)c(=O)[nH]1)C(C)C
InChIInChI=1S/C13H22N2O2/c1-6-10-9(5)14-12(15-13(10)16)11(8(3)4)17-7-2/h8,11H,6-7H2,1-5H3,(H,14,15,16)
InChIKeyHKEUXFUEVYFQNX-UHFFFAOYSA-N
MW238.33 g/mol
LogP2.37
Rot. Bonds5

About 2-(1-ethoxy-2-methylpropyl)-5-ethyl-4-methyl-1H-pyrimidin-6-one

2-(1-ethoxy-2-methylpropyl)-5-ethyl-4-methyl-1H-pyrimidin-6-one (PubChem CID 136997613) has the molecular formula C13H22N2O2 and a molecular weight of 238.33 g/mol. Its IUPAC name is 2-(1-ethoxy-2-methylpropyl)-5-ethyl-4-methyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-(1-ethoxy-2-methylpropyl)-5-ethyl-4-methyl-1H-pyrimidin-6-one
PubChem CID136997613
Molecular FormulaC13H22N2O2
Molecular Weight238.33 g/mol
Exact Mass238.17
IUPAC Name2-(1-ethoxy-2-methylpropyl)-5-ethyl-4-methyl-1H-pyrimidin-6-one
SMILESCCOC(c1nc(C)c(CC)c(=O)[nH]1)C(C)C
InChIInChI=1S/C13H22N2O2/c1-6-10-9(5)14-12(15-13(10)16)11(8(3)4)17-7-2/h8,11H,6-7H2,1-5H3,(H,14,15,16)
InChIKeyHKEUXFUEVYFQNX-UHFFFAOYSA-N
XLogP2.37
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(1-ethoxy-2-methylpropyl)-5-ethyl-4-methyl-1H-pyrimidin-6-one?
The IUPAC name of 2-(1-ethoxy-2-methylpropyl)-5-ethyl-4-methyl-1H-pyrimidin-6-one (CID 136997613) is 2-(1-ethoxy-2-methylpropyl)-5-ethyl-4-methyl-1H-pyrimidin-6-one.
What is the SMILES notation for 2-(1-ethoxy-2-methylpropyl)-5-ethyl-4-methyl-1H-pyrimidin-6-one?
The canonical SMILES for 2-(1-ethoxy-2-methylpropyl)-5-ethyl-4-methyl-1H-pyrimidin-6-one is CCOC(c1nc(C)c(CC)c(=O)[nH]1)C(C)C.
What is the InChIKey of 2-(1-ethoxy-2-methylpropyl)-5-ethyl-4-methyl-1H-pyrimidin-6-one?
The InChIKey is HKEUXFUEVYFQNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O2/c1-6-10-9(5)14-12(15-13(10)16)11(8(3)4)17-7-2/h8,11H,6-7H2,1-5H3,(H,14,15,16).
What are the key properties of 2-(1-ethoxy-2-methylpropyl)-5-ethyl-4-methyl-1H-pyrimidin-6-one?
2-(1-ethoxy-2-methylpropyl)-5-ethyl-4-methyl-1H-pyrimidin-6-one has a molecular weight of 238.33 g/mol, XLogP of 2.37, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-ethoxy-2-methylpropyl)-5-ethyl-4-methyl-1H-pyrimidin-6-one is sourced from PubChem (CID 136997613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).