4-pyrimidin-5-yloxybutanoic acid

C8H10N2O3 — CID 141198413

IUPAC4-pyrimidin-5-yloxybutanoic acid
SMILESO=C(O)CCCOc1cncnc1
InChIInChI=1S/C8H10N2O3/c11-8(12)2-1-3-13-7-4-9-6-10-5-7/h4-6H,1-3H2,(H,11,12)
InChIKeyQKALQTGHZHVHMJ-UHFFFAOYSA-N
MW182.18 g/mol
LogP0.72
Rot. Bonds5

About 4-pyrimidin-5-yloxybutanoic acid

4-pyrimidin-5-yloxybutanoic acid (PubChem CID 141198413) has the molecular formula C8H10N2O3 and a molecular weight of 182.18 g/mol. Its IUPAC name is 4-pyrimidin-5-yloxybutanoic acid.

Molecular Properties

Compound Name4-pyrimidin-5-yloxybutanoic acid
PubChem CID141198413
Molecular FormulaC8H10N2O3
Molecular Weight182.18 g/mol
Exact Mass182.07
IUPAC Name4-pyrimidin-5-yloxybutanoic acid
SMILESO=C(O)CCCOc1cncnc1
InChIInChI=1S/C8H10N2O3/c11-8(12)2-1-3-13-7-4-9-6-10-5-7/h4-6H,1-3H2,(H,11,12)
InChIKeyQKALQTGHZHVHMJ-UHFFFAOYSA-N
XLogP0.72
TPSA72.31 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.18
LogP ≤ 50.72
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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Related Compounds

4-(2-aminopyrimidin-5-yl)oxybutanoic acid;yttrium
CID 177001699
4-(4-aminophenoxy)butanoic acid
CID 14451763
4-(3,5-dimethoxyphenoxy)butanoic acid
CID 43351586
4-(4-sulfamoylphenoxy)butanoic acid
CID 43164527
ethane;4-(4-methylphenoxy)butanoic acid
CID 142364163
4-[2-(2-carboxyethyl)-3-[6-(3-phenyl-5-pyrimidin-5-ylphenoxy)hexyl]phenoxy]butanoic acid
CID 46888197
4-[4-(4-methylphenyl)phenoxy]butanoic acid
CID 22680200
9-phenoxynonanoic acid
CID 15887638
4-(3,4,5-trimethoxyphenoxy)butanoic acid
CID 11219431
11-(3,5-dihydroxyphenoxy)undecanoic acid
CID 42626374
5-(4-iodophenoxy)pentanoic acid
CID 22915460
4-[(2-oxo-1H-quinoxalin-6-yl)oxy]butanoic acid
CID 19849120

Frequently Asked Questions

What is the IUPAC name of 4-pyrimidin-5-yloxybutanoic acid?
The IUPAC name of 4-pyrimidin-5-yloxybutanoic acid (CID 141198413) is 4-pyrimidin-5-yloxybutanoic acid.
What is the SMILES notation for 4-pyrimidin-5-yloxybutanoic acid?
The canonical SMILES for 4-pyrimidin-5-yloxybutanoic acid is O=C(O)CCCOc1cncnc1.
What is the InChIKey of 4-pyrimidin-5-yloxybutanoic acid?
The InChIKey is QKALQTGHZHVHMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2O3/c11-8(12)2-1-3-13-7-4-9-6-10-5-7/h4-6H,1-3H2,(H,11,12).
What are the key properties of 4-pyrimidin-5-yloxybutanoic acid?
4-pyrimidin-5-yloxybutanoic acid has a molecular weight of 182.18 g/mol, XLogP of 0.72, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-pyrimidin-5-yloxybutanoic acid is sourced from PubChem (CID 141198413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).