1-(1-butoxyethyl)pyrimidine-2,4-dione

C10H16N2O3 — CID 2883480

IUPAC1-(1-butoxyethyl)pyrimidine-2,4-dione
SMILESCCCCOC(C)n1ccc(=O)[nH]c1=O
InChIInChI=1S/C10H16N2O3/c1-3-4-7-15-8(2)12-6-5-9(13)11-10(12)14/h5-6,8H,3-4,7H2,1-2H3,(H,11,13,14)
InChIKeyKRIIFYLOPUXHKO-UHFFFAOYSA-N
MW212.25 g/mol
LogP0.87
Rot. Bonds5

About 1-(1-butoxyethyl)pyrimidine-2,4-dione

1-(1-butoxyethyl)pyrimidine-2,4-dione (PubChem CID 2883480) has the molecular formula C10H16N2O3 and a molecular weight of 212.25 g/mol. Its IUPAC name is 1-(1-butoxyethyl)pyrimidine-2,4-dione.

Molecular Properties

Compound Name1-(1-butoxyethyl)pyrimidine-2,4-dione
PubChem CID2883480
Molecular FormulaC10H16N2O3
Molecular Weight212.25 g/mol
Exact Mass212.12
IUPAC Name1-(1-butoxyethyl)pyrimidine-2,4-dione
SMILESCCCCOC(C)n1ccc(=O)[nH]c1=O
InChIInChI=1S/C10H16N2O3/c1-3-4-7-15-8(2)12-6-5-9(13)11-10(12)14/h5-6,8H,3-4,7H2,1-2H3,(H,11,13,14)
InChIKeyKRIIFYLOPUXHKO-UHFFFAOYSA-N
XLogP0.87
TPSA64.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.25
LogP ≤ 50.87
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 1-(1-butoxyethyl)pyrimidine-2,4-dione?
The IUPAC name of 1-(1-butoxyethyl)pyrimidine-2,4-dione (CID 2883480) is 1-(1-butoxyethyl)pyrimidine-2,4-dione.
What is the SMILES notation for 1-(1-butoxyethyl)pyrimidine-2,4-dione?
The canonical SMILES for 1-(1-butoxyethyl)pyrimidine-2,4-dione is CCCCOC(C)n1ccc(=O)[nH]c1=O.
What is the InChIKey of 1-(1-butoxyethyl)pyrimidine-2,4-dione?
The InChIKey is KRIIFYLOPUXHKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O3/c1-3-4-7-15-8(2)12-6-5-9(13)11-10(12)14/h5-6,8H,3-4,7H2,1-2H3,(H,11,13,14).
What are the key properties of 1-(1-butoxyethyl)pyrimidine-2,4-dione?
1-(1-butoxyethyl)pyrimidine-2,4-dione has a molecular weight of 212.25 g/mol, XLogP of 0.87, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-butoxyethyl)pyrimidine-2,4-dione is sourced from PubChem (CID 2883480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).