2-(5-bromo-2,6-dimethylpyrimidin-4-yl)acetic acid

C8H9BrN2O2 — CID 130679243

IUPAC2-(5-bromo-2,6-dimethylpyrimidin-4-yl)acetic acid
SMILESCc1nc(C)c(Br)c(CC(=O)O)n1
InChIInChI=1S/C8H9BrN2O2/c1-4-8(9)6(3-7(12)13)11-5(2)10-4/h3H2,1-2H3,(H,12,13)
InChIKeyPPFLZGIQXSBKJE-UHFFFAOYSA-N
MW245.08 g/mol
LogP1.48
Rot. Bonds2

About 2-(5-bromo-2,6-dimethylpyrimidin-4-yl)acetic acid

2-(5-bromo-2,6-dimethylpyrimidin-4-yl)acetic acid (PubChem CID 130679243) has the molecular formula C8H9BrN2O2 and a molecular weight of 245.08 g/mol. Its IUPAC name is 2-(5-bromo-2,6-dimethylpyrimidin-4-yl)acetic acid.

Molecular Properties

Compound Name2-(5-bromo-2,6-dimethylpyrimidin-4-yl)acetic acid
PubChem CID130679243
Molecular FormulaC8H9BrN2O2
Molecular Weight245.08 g/mol
Exact Mass243.98
IUPAC Name2-(5-bromo-2,6-dimethylpyrimidin-4-yl)acetic acid
SMILESCc1nc(C)c(Br)c(CC(=O)O)n1
InChIInChI=1S/C8H9BrN2O2/c1-4-8(9)6(3-7(12)13)11-5(2)10-4/h3H2,1-2H3,(H,12,13)
InChIKeyPPFLZGIQXSBKJE-UHFFFAOYSA-N
XLogP1.48
TPSA63.08 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.08
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(5-bromo-2,6-dimethylpyrimidin-4-yl)acetic acid?
The IUPAC name of 2-(5-bromo-2,6-dimethylpyrimidin-4-yl)acetic acid (CID 130679243) is 2-(5-bromo-2,6-dimethylpyrimidin-4-yl)acetic acid.
What is the SMILES notation for 2-(5-bromo-2,6-dimethylpyrimidin-4-yl)acetic acid?
The canonical SMILES for 2-(5-bromo-2,6-dimethylpyrimidin-4-yl)acetic acid is Cc1nc(C)c(Br)c(CC(=O)O)n1.
What is the InChIKey of 2-(5-bromo-2,6-dimethylpyrimidin-4-yl)acetic acid?
The InChIKey is PPFLZGIQXSBKJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9BrN2O2/c1-4-8(9)6(3-7(12)13)11-5(2)10-4/h3H2,1-2H3,(H,12,13).
What are the key properties of 2-(5-bromo-2,6-dimethylpyrimidin-4-yl)acetic acid?
2-(5-bromo-2,6-dimethylpyrimidin-4-yl)acetic acid has a molecular weight of 245.08 g/mol, XLogP of 1.48, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromo-2,6-dimethylpyrimidin-4-yl)acetic acid is sourced from PubChem (CID 130679243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).