2-(5-chloro-2-ethyl-6-methylpyrimidin-4-yl)oxyacetic acid

C9H11ClN2O3 — CID 94077106

IUPAC2-(5-chloro-2-ethyl-6-methylpyrimidin-4-yl)oxyacetic acid
SMILESCCc1nc(C)c(Cl)c(OCC(=O)O)n1
InChIInChI=1S/C9H11ClN2O3/c1-3-6-11-5(2)8(10)9(12-6)15-4-7(13)14/h3-4H2,1-2H3,(H,13,14)
InChIKeyRRCYOPZYKDFBFE-UHFFFAOYSA-N
MW230.65 g/mol
LogP1.46
Rot. Bonds4

About 2-(5-chloro-2-ethyl-6-methylpyrimidin-4-yl)oxyacetic acid

2-(5-chloro-2-ethyl-6-methylpyrimidin-4-yl)oxyacetic acid (PubChem CID 94077106) has the molecular formula C9H11ClN2O3 and a molecular weight of 230.65 g/mol. Its IUPAC name is 2-(5-chloro-2-ethyl-6-methylpyrimidin-4-yl)oxyacetic acid.

Molecular Properties

Compound Name2-(5-chloro-2-ethyl-6-methylpyrimidin-4-yl)oxyacetic acid
PubChem CID94077106
Molecular FormulaC9H11ClN2O3
Molecular Weight230.65 g/mol
Exact Mass230.05
IUPAC Name2-(5-chloro-2-ethyl-6-methylpyrimidin-4-yl)oxyacetic acid
SMILESCCc1nc(C)c(Cl)c(OCC(=O)O)n1
InChIInChI=1S/C9H11ClN2O3/c1-3-6-11-5(2)8(10)9(12-6)15-4-7(13)14/h3-4H2,1-2H3,(H,13,14)
InChIKeyRRCYOPZYKDFBFE-UHFFFAOYSA-N
XLogP1.46
TPSA72.31 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.65
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(5-chloro-2-ethyl-6-methylpyrimidin-4-yl)oxyacetic acid?
The IUPAC name of 2-(5-chloro-2-ethyl-6-methylpyrimidin-4-yl)oxyacetic acid (CID 94077106) is 2-(5-chloro-2-ethyl-6-methylpyrimidin-4-yl)oxyacetic acid.
What is the SMILES notation for 2-(5-chloro-2-ethyl-6-methylpyrimidin-4-yl)oxyacetic acid?
The canonical SMILES for 2-(5-chloro-2-ethyl-6-methylpyrimidin-4-yl)oxyacetic acid is CCc1nc(C)c(Cl)c(OCC(=O)O)n1.
What is the InChIKey of 2-(5-chloro-2-ethyl-6-methylpyrimidin-4-yl)oxyacetic acid?
The InChIKey is RRCYOPZYKDFBFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11ClN2O3/c1-3-6-11-5(2)8(10)9(12-6)15-4-7(13)14/h3-4H2,1-2H3,(H,13,14).
What are the key properties of 2-(5-chloro-2-ethyl-6-methylpyrimidin-4-yl)oxyacetic acid?
2-(5-chloro-2-ethyl-6-methylpyrimidin-4-yl)oxyacetic acid has a molecular weight of 230.65 g/mol, XLogP of 1.46, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chloro-2-ethyl-6-methylpyrimidin-4-yl)oxyacetic acid is sourced from PubChem (CID 94077106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).