5-(6-methoxypyrimidin-4-yl)-5-azaspiro[2.5]octane-8-carboxylic acid

C13H17N3O3 — CID 155273140

IUPAC5-(6-methoxypyrimidin-4-yl)-5-azaspiro[2.5]octane-8-carboxylic acid
SMILESCOc1cc(N2CCC(C(=O)O)C3(CC3)C2)ncn1
InChIInChI=1S/C13H17N3O3/c1-19-11-6-10(14-8-15-11)16-5-2-9(12(17)18)13(7-16)3-4-13/h6,8-9H,2-5,7H2,1H3,(H,17,18)
InChIKeyCHUNUYLPQGEBHG-UHFFFAOYSA-N
MW263.30 g/mol
LogP1.18
Rot. Bonds3

About 5-(6-methoxypyrimidin-4-yl)-5-azaspiro[2.5]octane-8-carboxylic acid

5-(6-methoxypyrimidin-4-yl)-5-azaspiro[2.5]octane-8-carboxylic acid (PubChem CID 155273140) has the molecular formula C13H17N3O3 and a molecular weight of 263.30 g/mol. Its IUPAC name is 5-(6-methoxypyrimidin-4-yl)-5-azaspiro[2.5]octane-8-carboxylic acid.

Molecular Properties

Compound Name5-(6-methoxypyrimidin-4-yl)-5-azaspiro[2.5]octane-8-carboxylic acid
PubChem CID155273140
Molecular FormulaC13H17N3O3
Molecular Weight263.30 g/mol
Exact Mass263.13
IUPAC Name5-(6-methoxypyrimidin-4-yl)-5-azaspiro[2.5]octane-8-carboxylic acid
SMILESCOc1cc(N2CCC(C(=O)O)C3(CC3)C2)ncn1
InChIInChI=1S/C13H17N3O3/c1-19-11-6-10(14-8-15-11)16-5-2-9(12(17)18)13(7-16)3-4-13/h6,8-9H,2-5,7H2,1H3,(H,17,18)
InChIKeyCHUNUYLPQGEBHG-UHFFFAOYSA-N
XLogP1.18
TPSA75.55 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.30
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(6-methoxypyrimidin-4-yl)-5-azaspiro[2.5]octane-8-carboxylic acid?
The IUPAC name of 5-(6-methoxypyrimidin-4-yl)-5-azaspiro[2.5]octane-8-carboxylic acid (CID 155273140) is 5-(6-methoxypyrimidin-4-yl)-5-azaspiro[2.5]octane-8-carboxylic acid.
What is the SMILES notation for 5-(6-methoxypyrimidin-4-yl)-5-azaspiro[2.5]octane-8-carboxylic acid?
The canonical SMILES for 5-(6-methoxypyrimidin-4-yl)-5-azaspiro[2.5]octane-8-carboxylic acid is COc1cc(N2CCC(C(=O)O)C3(CC3)C2)ncn1.
What is the InChIKey of 5-(6-methoxypyrimidin-4-yl)-5-azaspiro[2.5]octane-8-carboxylic acid?
The InChIKey is CHUNUYLPQGEBHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O3/c1-19-11-6-10(14-8-15-11)16-5-2-9(12(17)18)13(7-16)3-4-13/h6,8-9H,2-5,7H2,1H3,(H,17,18).
What are the key properties of 5-(6-methoxypyrimidin-4-yl)-5-azaspiro[2.5]octane-8-carboxylic acid?
5-(6-methoxypyrimidin-4-yl)-5-azaspiro[2.5]octane-8-carboxylic acid has a molecular weight of 263.30 g/mol, XLogP of 1.18, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(6-methoxypyrimidin-4-yl)-5-azaspiro[2.5]octane-8-carboxylic acid is sourced from PubChem (CID 155273140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).