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

C10H14N2O4 — CID 116728172

IUPAC2-(1-methoxybutyl)-6-oxo-1H-pyrimidine-5-carboxylic acid
SMILESCCCC(OC)c1ncc(C(=O)O)c(=O)[nH]1
InChIInChI=1S/C10H14N2O4/c1-3-4-7(16-2)8-11-5-6(10(14)15)9(13)12-8/h5,7H,3-4H2,1-2H3,(H,14,15)(H,11,12,13)
InChIKeyFCAVNIJGBCJSFP-UHFFFAOYSA-N
MW226.23 g/mol
LogP0.96
Rot. Bonds5

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

2-(1-methoxybutyl)-6-oxo-1H-pyrimidine-5-carboxylic acid (PubChem CID 116728172) has the molecular formula C10H14N2O4 and a molecular weight of 226.23 g/mol. Its IUPAC name is 2-(1-methoxybutyl)-6-oxo-1H-pyrimidine-5-carboxylic acid.

Molecular Properties

Compound Name2-(1-methoxybutyl)-6-oxo-1H-pyrimidine-5-carboxylic acid
PubChem CID116728172
Molecular FormulaC10H14N2O4
Molecular Weight226.23 g/mol
Exact Mass226.10
IUPAC Name2-(1-methoxybutyl)-6-oxo-1H-pyrimidine-5-carboxylic acid
SMILESCCCC(OC)c1ncc(C(=O)O)c(=O)[nH]1
InChIInChI=1S/C10H14N2O4/c1-3-4-7(16-2)8-11-5-6(10(14)15)9(13)12-8/h5,7H,3-4H2,1-2H3,(H,14,15)(H,11,12,13)
InChIKeyFCAVNIJGBCJSFP-UHFFFAOYSA-N
XLogP0.96
TPSA92.28 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.23
LogP ≤ 50.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(1-methoxybutyl)-6-oxo-1H-pyrimidine-5-carboxylic acid?
The IUPAC name of 2-(1-methoxybutyl)-6-oxo-1H-pyrimidine-5-carboxylic acid (CID 116728172) is 2-(1-methoxybutyl)-6-oxo-1H-pyrimidine-5-carboxylic acid.
What is the SMILES notation for 2-(1-methoxybutyl)-6-oxo-1H-pyrimidine-5-carboxylic acid?
The canonical SMILES for 2-(1-methoxybutyl)-6-oxo-1H-pyrimidine-5-carboxylic acid is CCCC(OC)c1ncc(C(=O)O)c(=O)[nH]1.
What is the InChIKey of 2-(1-methoxybutyl)-6-oxo-1H-pyrimidine-5-carboxylic acid?
The InChIKey is FCAVNIJGBCJSFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O4/c1-3-4-7(16-2)8-11-5-6(10(14)15)9(13)12-8/h5,7H,3-4H2,1-2H3,(H,14,15)(H,11,12,13).
What are the key properties of 2-(1-methoxybutyl)-6-oxo-1H-pyrimidine-5-carboxylic acid?
2-(1-methoxybutyl)-6-oxo-1H-pyrimidine-5-carboxylic acid has a molecular weight of 226.23 g/mol, XLogP of 0.96, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methoxybutyl)-6-oxo-1H-pyrimidine-5-carboxylic acid is sourced from PubChem (CID 116728172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).