6-(2,6-dimethylpyrimidin-4-yl)-6-azaspiro[3.4]octane-8-carboxylic acid

C14H19N3O2 — CID 122160555

IUPAC6-(2,6-dimethylpyrimidin-4-yl)-6-azaspiro[3.4]octane-8-carboxylic acid
SMILESCc1cc(N2CC(C(=O)O)C3(CCC3)C2)nc(C)n1
InChIInChI=1S/C14H19N3O2/c1-9-6-12(16-10(2)15-9)17-7-11(13(18)19)14(8-17)4-3-5-14/h6,11H,3-5,7-8H2,1-2H3,(H,18,19)
InChIKeyUGPQTYCTTQQJFR-UHFFFAOYSA-N
MW261.32 g/mol
LogP1.78
Rot. Bonds2

About 6-(2,6-dimethylpyrimidin-4-yl)-6-azaspiro[3.4]octane-8-carboxylic acid

6-(2,6-dimethylpyrimidin-4-yl)-6-azaspiro[3.4]octane-8-carboxylic acid (PubChem CID 122160555) has the molecular formula C14H19N3O2 and a molecular weight of 261.32 g/mol. Its IUPAC name is 6-(2,6-dimethylpyrimidin-4-yl)-6-azaspiro[3.4]octane-8-carboxylic acid.

Molecular Properties

Compound Name6-(2,6-dimethylpyrimidin-4-yl)-6-azaspiro[3.4]octane-8-carboxylic acid
PubChem CID122160555
Molecular FormulaC14H19N3O2
Molecular Weight261.32 g/mol
Exact Mass261.15
IUPAC Name6-(2,6-dimethylpyrimidin-4-yl)-6-azaspiro[3.4]octane-8-carboxylic acid
SMILESCc1cc(N2CC(C(=O)O)C3(CCC3)C2)nc(C)n1
InChIInChI=1S/C14H19N3O2/c1-9-6-12(16-10(2)15-9)17-7-11(13(18)19)14(8-17)4-3-5-14/h6,11H,3-5,7-8H2,1-2H3,(H,18,19)
InChIKeyUGPQTYCTTQQJFR-UHFFFAOYSA-N
XLogP1.78
TPSA66.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-(2,6-dimethylpyrimidin-4-yl)-6-azaspiro[3.4]octane-8-carboxylic acid?
The IUPAC name of 6-(2,6-dimethylpyrimidin-4-yl)-6-azaspiro[3.4]octane-8-carboxylic acid (CID 122160555) is 6-(2,6-dimethylpyrimidin-4-yl)-6-azaspiro[3.4]octane-8-carboxylic acid.
What is the SMILES notation for 6-(2,6-dimethylpyrimidin-4-yl)-6-azaspiro[3.4]octane-8-carboxylic acid?
The canonical SMILES for 6-(2,6-dimethylpyrimidin-4-yl)-6-azaspiro[3.4]octane-8-carboxylic acid is Cc1cc(N2CC(C(=O)O)C3(CCC3)C2)nc(C)n1.
What is the InChIKey of 6-(2,6-dimethylpyrimidin-4-yl)-6-azaspiro[3.4]octane-8-carboxylic acid?
The InChIKey is UGPQTYCTTQQJFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O2/c1-9-6-12(16-10(2)15-9)17-7-11(13(18)19)14(8-17)4-3-5-14/h6,11H,3-5,7-8H2,1-2H3,(H,18,19).
What are the key properties of 6-(2,6-dimethylpyrimidin-4-yl)-6-azaspiro[3.4]octane-8-carboxylic acid?
6-(2,6-dimethylpyrimidin-4-yl)-6-azaspiro[3.4]octane-8-carboxylic acid has a molecular weight of 261.32 g/mol, XLogP of 1.78, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,6-dimethylpyrimidin-4-yl)-6-azaspiro[3.4]octane-8-carboxylic acid is sourced from PubChem (CID 122160555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).