3-[2-(1-ethoxyethyl)-4,6-dimethylpyrimidin-5-yl]propanoic acid

C13H20N2O3 — CID 64533213

IUPAC3-[2-(1-ethoxyethyl)-4,6-dimethylpyrimidin-5-yl]propanoic acid
SMILESCCOC(C)c1nc(C)c(CCC(=O)O)c(C)n1
InChIInChI=1S/C13H20N2O3/c1-5-18-10(4)13-14-8(2)11(9(3)15-13)6-7-12(16)17/h10H,5-7H2,1-4H3,(H,16,17)
InChIKeyUEOILZLKWNVRQZ-UHFFFAOYSA-N
MW252.31 g/mol
LogP2.21
Rot. Bonds6

About 3-[2-(1-ethoxyethyl)-4,6-dimethylpyrimidin-5-yl]propanoic acid

3-[2-(1-ethoxyethyl)-4,6-dimethylpyrimidin-5-yl]propanoic acid (PubChem CID 64533213) has the molecular formula C13H20N2O3 and a molecular weight of 252.31 g/mol. Its IUPAC name is 3-[2-(1-ethoxyethyl)-4,6-dimethylpyrimidin-5-yl]propanoic acid.

Molecular Properties

Compound Name3-[2-(1-ethoxyethyl)-4,6-dimethylpyrimidin-5-yl]propanoic acid
PubChem CID64533213
Molecular FormulaC13H20N2O3
Molecular Weight252.31 g/mol
Exact Mass252.15
IUPAC Name3-[2-(1-ethoxyethyl)-4,6-dimethylpyrimidin-5-yl]propanoic acid
SMILESCCOC(C)c1nc(C)c(CCC(=O)O)c(C)n1
InChIInChI=1S/C13H20N2O3/c1-5-18-10(4)13-14-8(2)11(9(3)15-13)6-7-12(16)17/h10H,5-7H2,1-4H3,(H,16,17)
InChIKeyUEOILZLKWNVRQZ-UHFFFAOYSA-N
XLogP2.21
TPSA72.31 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.31
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[2-(1-ethoxyethyl)-4,6-dimethylpyrimidin-5-yl]propanoic acid?
The IUPAC name of 3-[2-(1-ethoxyethyl)-4,6-dimethylpyrimidin-5-yl]propanoic acid (CID 64533213) is 3-[2-(1-ethoxyethyl)-4,6-dimethylpyrimidin-5-yl]propanoic acid.
What is the SMILES notation for 3-[2-(1-ethoxyethyl)-4,6-dimethylpyrimidin-5-yl]propanoic acid?
The canonical SMILES for 3-[2-(1-ethoxyethyl)-4,6-dimethylpyrimidin-5-yl]propanoic acid is CCOC(C)c1nc(C)c(CCC(=O)O)c(C)n1.
What is the InChIKey of 3-[2-(1-ethoxyethyl)-4,6-dimethylpyrimidin-5-yl]propanoic acid?
The InChIKey is UEOILZLKWNVRQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O3/c1-5-18-10(4)13-14-8(2)11(9(3)15-13)6-7-12(16)17/h10H,5-7H2,1-4H3,(H,16,17).
What are the key properties of 3-[2-(1-ethoxyethyl)-4,6-dimethylpyrimidin-5-yl]propanoic acid?
3-[2-(1-ethoxyethyl)-4,6-dimethylpyrimidin-5-yl]propanoic acid has a molecular weight of 252.31 g/mol, XLogP of 2.21, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(1-ethoxyethyl)-4,6-dimethylpyrimidin-5-yl]propanoic acid is sourced from PubChem (CID 64533213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).