2-[8-(4,6-dimethylpyrimidin-2-yl)-8-azabicyclo[3.2.1]octan-3-yl]acetic acid

C15H21N3O2 — CID 79608328

IUPAC2-[8-(4,6-dimethylpyrimidin-2-yl)-8-azabicyclo[3.2.1]octan-3-yl]acetic acid
SMILESCc1cc(C)nc(N2C3CCC2CC(CC(=O)O)C3)n1
InChIInChI=1S/C15H21N3O2/c1-9-5-10(2)17-15(16-9)18-12-3-4-13(18)7-11(6-12)8-14(19)20/h5,11-13H,3-4,6-8H2,1-2H3,(H,19,20)
InChIKeyRSUGIUVBEUPBAI-UHFFFAOYSA-N
MW275.35 g/mol
LogP2.32
Rot. Bonds3

About 2-[8-(4,6-dimethylpyrimidin-2-yl)-8-azabicyclo[3.2.1]octan-3-yl]acetic acid

2-[8-(4,6-dimethylpyrimidin-2-yl)-8-azabicyclo[3.2.1]octan-3-yl]acetic acid (PubChem CID 79608328) has the molecular formula C15H21N3O2 and a molecular weight of 275.35 g/mol. Its IUPAC name is 2-[8-(4,6-dimethylpyrimidin-2-yl)-8-azabicyclo[3.2.1]octan-3-yl]acetic acid.

Molecular Properties

Compound Name2-[8-(4,6-dimethylpyrimidin-2-yl)-8-azabicyclo[3.2.1]octan-3-yl]acetic acid
PubChem CID79608328
Molecular FormulaC15H21N3O2
Molecular Weight275.35 g/mol
Exact Mass275.16
IUPAC Name2-[8-(4,6-dimethylpyrimidin-2-yl)-8-azabicyclo[3.2.1]octan-3-yl]acetic acid
SMILESCc1cc(C)nc(N2C3CCC2CC(CC(=O)O)C3)n1
InChIInChI=1S/C15H21N3O2/c1-9-5-10(2)17-15(16-9)18-12-3-4-13(18)7-11(6-12)8-14(19)20/h5,11-13H,3-4,6-8H2,1-2H3,(H,19,20)
InChIKeyRSUGIUVBEUPBAI-UHFFFAOYSA-N
XLogP2.32
TPSA66.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[8-(4,6-dimethylpyrimidin-2-yl)-8-azabicyclo[3.2.1]octan-3-yl]acetic acid?
The IUPAC name of 2-[8-(4,6-dimethylpyrimidin-2-yl)-8-azabicyclo[3.2.1]octan-3-yl]acetic acid (CID 79608328) is 2-[8-(4,6-dimethylpyrimidin-2-yl)-8-azabicyclo[3.2.1]octan-3-yl]acetic acid.
What is the SMILES notation for 2-[8-(4,6-dimethylpyrimidin-2-yl)-8-azabicyclo[3.2.1]octan-3-yl]acetic acid?
The canonical SMILES for 2-[8-(4,6-dimethylpyrimidin-2-yl)-8-azabicyclo[3.2.1]octan-3-yl]acetic acid is Cc1cc(C)nc(N2C3CCC2CC(CC(=O)O)C3)n1.
What is the InChIKey of 2-[8-(4,6-dimethylpyrimidin-2-yl)-8-azabicyclo[3.2.1]octan-3-yl]acetic acid?
The InChIKey is RSUGIUVBEUPBAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O2/c1-9-5-10(2)17-15(16-9)18-12-3-4-13(18)7-11(6-12)8-14(19)20/h5,11-13H,3-4,6-8H2,1-2H3,(H,19,20).
What are the key properties of 2-[8-(4,6-dimethylpyrimidin-2-yl)-8-azabicyclo[3.2.1]octan-3-yl]acetic acid?
2-[8-(4,6-dimethylpyrimidin-2-yl)-8-azabicyclo[3.2.1]octan-3-yl]acetic acid has a molecular weight of 275.35 g/mol, XLogP of 2.32, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[8-(4,6-dimethylpyrimidin-2-yl)-8-azabicyclo[3.2.1]octan-3-yl]acetic acid is sourced from PubChem (CID 79608328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).