4-(2-aminopyrimidin-5-yl)oxybutanoic acid;yttrium

C8H11N3O3Y — CID 177001699

IUPAC4-(2-aminopyrimidin-5-yl)oxybutanoic acid;yttrium
SMILESNc1ncc(OCCCC(=O)O)cn1.[Y]
InChIInChI=1S/C8H11N3O3.Y/c9-8-10-4-6(5-11-8)14-3-1-2-7(12)13;/h4-5H,1-3H2,(H,12,13)(H2,9,10,11);
InChIKeyIJKUQZMPWKRBFG-UHFFFAOYSA-N
MW286.10 g/mol
LogP0.30
Rot. Bonds5

About 4-(2-aminopyrimidin-5-yl)oxybutanoic acid;yttrium

4-(2-aminopyrimidin-5-yl)oxybutanoic acid;yttrium (PubChem CID 177001699) has the molecular formula C8H11N3O3Y and a molecular weight of 286.10 g/mol. Its IUPAC name is 4-(2-aminopyrimidin-5-yl)oxybutanoic acid;yttrium.

Molecular Properties

Compound Name4-(2-aminopyrimidin-5-yl)oxybutanoic acid;yttrium
PubChem CID177001699
Molecular FormulaC8H11N3O3Y
Molecular Weight286.10 g/mol
Exact Mass285.99
IUPAC Name4-(2-aminopyrimidin-5-yl)oxybutanoic acid;yttrium
SMILESNc1ncc(OCCCC(=O)O)cn1.[Y]
InChIInChI=1S/C8H11N3O3.Y/c9-8-10-4-6(5-11-8)14-3-1-2-7(12)13;/h4-5H,1-3H2,(H,12,13)(H2,9,10,11);
InChIKeyIJKUQZMPWKRBFG-UHFFFAOYSA-N
XLogP0.30
TPSA98.33 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.10
LogP ≤ 50.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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-aminopyrimidin-5-yl)oxybutanoic acid;yttrium?
The IUPAC name of 4-(2-aminopyrimidin-5-yl)oxybutanoic acid;yttrium (CID 177001699) is 4-(2-aminopyrimidin-5-yl)oxybutanoic acid;yttrium.
What is the SMILES notation for 4-(2-aminopyrimidin-5-yl)oxybutanoic acid;yttrium?
The canonical SMILES for 4-(2-aminopyrimidin-5-yl)oxybutanoic acid;yttrium is Nc1ncc(OCCCC(=O)O)cn1.[Y].
What is the InChIKey of 4-(2-aminopyrimidin-5-yl)oxybutanoic acid;yttrium?
The InChIKey is IJKUQZMPWKRBFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3O3.Y/c9-8-10-4-6(5-11-8)14-3-1-2-7(12)13;/h4-5H,1-3H2,(H,12,13)(H2,9,10,11);.
What are the key properties of 4-(2-aminopyrimidin-5-yl)oxybutanoic acid;yttrium?
4-(2-aminopyrimidin-5-yl)oxybutanoic acid;yttrium has a molecular weight of 286.10 g/mol, XLogP of 0.30, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-aminopyrimidin-5-yl)oxybutanoic acid;yttrium is sourced from PubChem (CID 177001699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).