2-ethyl-4-(2-propoxyethoxy)-1H-pyrimidin-6-one

C11H18N2O3 — CID 103241663

IUPAC2-ethyl-4-(2-propoxyethoxy)-1H-pyrimidin-6-one
SMILESCCCOCCOc1cc(=O)[nH]c(CC)n1
InChIInChI=1S/C11H18N2O3/c1-3-5-15-6-7-16-11-8-10(14)12-9(4-2)13-11/h8H,3-7H2,1-2H3,(H,12,13,14)
InChIKeyZUJNCLOTVXCYGK-UHFFFAOYSA-N
MW226.28 g/mol
LogP1.14
Rot. Bonds7

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

2-ethyl-4-(2-propoxyethoxy)-1H-pyrimidin-6-one (PubChem CID 103241663) has the molecular formula C11H18N2O3 and a molecular weight of 226.28 g/mol. Its IUPAC name is 2-ethyl-4-(2-propoxyethoxy)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-ethyl-4-(2-propoxyethoxy)-1H-pyrimidin-6-one
PubChem CID103241663
Molecular FormulaC11H18N2O3
Molecular Weight226.28 g/mol
Exact Mass226.13
IUPAC Name2-ethyl-4-(2-propoxyethoxy)-1H-pyrimidin-6-one
SMILESCCCOCCOc1cc(=O)[nH]c(CC)n1
InChIInChI=1S/C11H18N2O3/c1-3-5-15-6-7-16-11-8-10(14)12-9(4-2)13-11/h8H,3-7H2,1-2H3,(H,12,13,14)
InChIKeyZUJNCLOTVXCYGK-UHFFFAOYSA-N
XLogP1.14
TPSA64.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.28
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-4-(2-propoxyethoxy)-1H-pyrimidin-6-one?
The IUPAC name of 2-ethyl-4-(2-propoxyethoxy)-1H-pyrimidin-6-one (CID 103241663) is 2-ethyl-4-(2-propoxyethoxy)-1H-pyrimidin-6-one.
What is the SMILES notation for 2-ethyl-4-(2-propoxyethoxy)-1H-pyrimidin-6-one?
The canonical SMILES for 2-ethyl-4-(2-propoxyethoxy)-1H-pyrimidin-6-one is CCCOCCOc1cc(=O)[nH]c(CC)n1.
What is the InChIKey of 2-ethyl-4-(2-propoxyethoxy)-1H-pyrimidin-6-one?
The InChIKey is ZUJNCLOTVXCYGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O3/c1-3-5-15-6-7-16-11-8-10(14)12-9(4-2)13-11/h8H,3-7H2,1-2H3,(H,12,13,14).
What are the key properties of 2-ethyl-4-(2-propoxyethoxy)-1H-pyrimidin-6-one?
2-ethyl-4-(2-propoxyethoxy)-1H-pyrimidin-6-one has a molecular weight of 226.28 g/mol, XLogP of 1.14, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-4-(2-propoxyethoxy)-1H-pyrimidin-6-one is sourced from PubChem (CID 103241663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).