2-(butoxymethyl)-6-oxo-1H-pyrimidine-5-carboxylic acid

C10H14N2O4 — CID 89471214

IUPAC2-(butoxymethyl)-6-oxo-1H-pyrimidine-5-carboxylic acid
SMILESCCCCOCc1ncc(C(=O)O)c(=O)[nH]1
InChIInChI=1S/C10H14N2O4/c1-2-3-4-16-6-8-11-5-7(10(14)15)9(13)12-8/h5H,2-4,6H2,1H3,(H,14,15)(H,11,12,13)
InChIKeyUTPXKCYECRKUTF-UHFFFAOYSA-N
MW226.23 g/mol
LogP0.78
Rot. Bonds6

About 2-(butoxymethyl)-6-oxo-1H-pyrimidine-5-carboxylic acid

2-(butoxymethyl)-6-oxo-1H-pyrimidine-5-carboxylic acid (PubChem CID 89471214) has the molecular formula C10H14N2O4 and a molecular weight of 226.23 g/mol. Its IUPAC name is 2-(butoxymethyl)-6-oxo-1H-pyrimidine-5-carboxylic acid.

Molecular Properties

Compound Name2-(butoxymethyl)-6-oxo-1H-pyrimidine-5-carboxylic acid
PubChem CID89471214
Molecular FormulaC10H14N2O4
Molecular Weight226.23 g/mol
Exact Mass226.10
IUPAC Name2-(butoxymethyl)-6-oxo-1H-pyrimidine-5-carboxylic acid
SMILESCCCCOCc1ncc(C(=O)O)c(=O)[nH]1
InChIInChI=1S/C10H14N2O4/c1-2-3-4-16-6-8-11-5-7(10(14)15)9(13)12-8/h5H,2-4,6H2,1H3,(H,14,15)(H,11,12,13)
InChIKeyUTPXKCYECRKUTF-UHFFFAOYSA-N
XLogP0.78
TPSA92.28 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.23
LogP ≤ 50.78
H-Bond Donors ≤ 52
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-(butoxymethyl)-6-oxo-1H-pyrimidine-5-carboxylic acid?
The IUPAC name of 2-(butoxymethyl)-6-oxo-1H-pyrimidine-5-carboxylic acid (CID 89471214) is 2-(butoxymethyl)-6-oxo-1H-pyrimidine-5-carboxylic acid.
What is the SMILES notation for 2-(butoxymethyl)-6-oxo-1H-pyrimidine-5-carboxylic acid?
The canonical SMILES for 2-(butoxymethyl)-6-oxo-1H-pyrimidine-5-carboxylic acid is CCCCOCc1ncc(C(=O)O)c(=O)[nH]1.
What is the InChIKey of 2-(butoxymethyl)-6-oxo-1H-pyrimidine-5-carboxylic acid?
The InChIKey is UTPXKCYECRKUTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O4/c1-2-3-4-16-6-8-11-5-7(10(14)15)9(13)12-8/h5H,2-4,6H2,1H3,(H,14,15)(H,11,12,13).
What are the key properties of 2-(butoxymethyl)-6-oxo-1H-pyrimidine-5-carboxylic acid?
2-(butoxymethyl)-6-oxo-1H-pyrimidine-5-carboxylic acid has a molecular weight of 226.23 g/mol, XLogP of 0.78, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(butoxymethyl)-6-oxo-1H-pyrimidine-5-carboxylic acid is sourced from PubChem (CID 89471214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).