3-[2-(2-ethoxypropan-2-yl)-4,6-dimethylpyrimidin-5-yl]propanoic acid

C14H22N2O3 — CID 116727369

IUPAC3-[2-(2-ethoxypropan-2-yl)-4,6-dimethylpyrimidin-5-yl]propanoic acid
SMILESCCOC(C)(C)c1nc(C)c(CCC(=O)O)c(C)n1
InChIInChI=1S/C14H22N2O3/c1-6-19-14(4,5)13-15-9(2)11(10(3)16-13)7-8-12(17)18/h6-8H2,1-5H3,(H,17,18)
InChIKeyJGIJDVPXLJDPIC-UHFFFAOYSA-N
MW266.34 g/mol
LogP2.38
Rot. Bonds6

About 3-[2-(2-ethoxypropan-2-yl)-4,6-dimethylpyrimidin-5-yl]propanoic acid

3-[2-(2-ethoxypropan-2-yl)-4,6-dimethylpyrimidin-5-yl]propanoic acid (PubChem CID 116727369) has the molecular formula C14H22N2O3 and a molecular weight of 266.34 g/mol. Its IUPAC name is 3-[2-(2-ethoxypropan-2-yl)-4,6-dimethylpyrimidin-5-yl]propanoic acid.

Molecular Properties

Compound Name3-[2-(2-ethoxypropan-2-yl)-4,6-dimethylpyrimidin-5-yl]propanoic acid
PubChem CID116727369
Molecular FormulaC14H22N2O3
Molecular Weight266.34 g/mol
Exact Mass266.16
IUPAC Name3-[2-(2-ethoxypropan-2-yl)-4,6-dimethylpyrimidin-5-yl]propanoic acid
SMILESCCOC(C)(C)c1nc(C)c(CCC(=O)O)c(C)n1
InChIInChI=1S/C14H22N2O3/c1-6-19-14(4,5)13-15-9(2)11(10(3)16-13)7-8-12(17)18/h6-8H2,1-5H3,(H,17,18)
InChIKeyJGIJDVPXLJDPIC-UHFFFAOYSA-N
XLogP2.38
TPSA72.31 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[2-(2-ethoxypropan-2-yl)-4,6-dimethylpyrimidin-5-yl]propanoic acid?
The IUPAC name of 3-[2-(2-ethoxypropan-2-yl)-4,6-dimethylpyrimidin-5-yl]propanoic acid (CID 116727369) is 3-[2-(2-ethoxypropan-2-yl)-4,6-dimethylpyrimidin-5-yl]propanoic acid.
What is the SMILES notation for 3-[2-(2-ethoxypropan-2-yl)-4,6-dimethylpyrimidin-5-yl]propanoic acid?
The canonical SMILES for 3-[2-(2-ethoxypropan-2-yl)-4,6-dimethylpyrimidin-5-yl]propanoic acid is CCOC(C)(C)c1nc(C)c(CCC(=O)O)c(C)n1.
What is the InChIKey of 3-[2-(2-ethoxypropan-2-yl)-4,6-dimethylpyrimidin-5-yl]propanoic acid?
The InChIKey is JGIJDVPXLJDPIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O3/c1-6-19-14(4,5)13-15-9(2)11(10(3)16-13)7-8-12(17)18/h6-8H2,1-5H3,(H,17,18).
What are the key properties of 3-[2-(2-ethoxypropan-2-yl)-4,6-dimethylpyrimidin-5-yl]propanoic acid?
3-[2-(2-ethoxypropan-2-yl)-4,6-dimethylpyrimidin-5-yl]propanoic acid has a molecular weight of 266.34 g/mol, XLogP of 2.38, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(2-ethoxypropan-2-yl)-4,6-dimethylpyrimidin-5-yl]propanoic acid is sourced from PubChem (CID 116727369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).