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

C12H20N2O3 — CID 103240435

IUPAC4-(2-butoxyethoxy)-2-ethyl-1H-pyrimidin-6-one
SMILESCCCCOCCOc1cc(=O)[nH]c(CC)n1
InChIInChI=1S/C12H20N2O3/c1-3-5-6-16-7-8-17-12-9-11(15)13-10(4-2)14-12/h9H,3-8H2,1-2H3,(H,13,14,15)
InChIKeyQZIMWXFKIOZKQL-UHFFFAOYSA-N
MW240.30 g/mol
LogP1.53
Rot. Bonds8

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

4-(2-butoxyethoxy)-2-ethyl-1H-pyrimidin-6-one (PubChem CID 103240435) has the molecular formula C12H20N2O3 and a molecular weight of 240.30 g/mol. Its IUPAC name is 4-(2-butoxyethoxy)-2-ethyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-(2-butoxyethoxy)-2-ethyl-1H-pyrimidin-6-one
PubChem CID103240435
Molecular FormulaC12H20N2O3
Molecular Weight240.30 g/mol
Exact Mass240.15
IUPAC Name4-(2-butoxyethoxy)-2-ethyl-1H-pyrimidin-6-one
SMILESCCCCOCCOc1cc(=O)[nH]c(CC)n1
InChIInChI=1S/C12H20N2O3/c1-3-5-6-16-7-8-17-12-9-11(15)13-10(4-2)14-12/h9H,3-8H2,1-2H3,(H,13,14,15)
InChIKeyQZIMWXFKIOZKQL-UHFFFAOYSA-N
XLogP1.53
TPSA64.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.30
LogP ≤ 51.53
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 4-(2-butoxyethoxy)-2-ethyl-1H-pyrimidin-6-one?
The IUPAC name of 4-(2-butoxyethoxy)-2-ethyl-1H-pyrimidin-6-one (CID 103240435) is 4-(2-butoxyethoxy)-2-ethyl-1H-pyrimidin-6-one.
What is the SMILES notation for 4-(2-butoxyethoxy)-2-ethyl-1H-pyrimidin-6-one?
The canonical SMILES for 4-(2-butoxyethoxy)-2-ethyl-1H-pyrimidin-6-one is CCCCOCCOc1cc(=O)[nH]c(CC)n1.
What is the InChIKey of 4-(2-butoxyethoxy)-2-ethyl-1H-pyrimidin-6-one?
The InChIKey is QZIMWXFKIOZKQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O3/c1-3-5-6-16-7-8-17-12-9-11(15)13-10(4-2)14-12/h9H,3-8H2,1-2H3,(H,13,14,15).
What are the key properties of 4-(2-butoxyethoxy)-2-ethyl-1H-pyrimidin-6-one?
4-(2-butoxyethoxy)-2-ethyl-1H-pyrimidin-6-one has a molecular weight of 240.30 g/mol, XLogP of 1.53, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-butoxyethoxy)-2-ethyl-1H-pyrimidin-6-one is sourced from PubChem (CID 103240435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).