2-(2-chloro-6-methylpyrimidin-4-yl)acetic acid

C7H7ClN2O2 — CID 83851953

IUPAC2-(2-chloro-6-methylpyrimidin-4-yl)acetic acid
SMILESCc1cc(CC(=O)O)nc(Cl)n1
InChIInChI=1S/C7H7ClN2O2/c1-4-2-5(3-6(11)12)10-7(8)9-4/h2H,3H2,1H3,(H,11,12)
InChIKeyILRQIMJHUFXMCC-UHFFFAOYSA-N
MW186.60 g/mol
LogP1.07
Rot. Bonds2

About 2-(2-chloro-6-methylpyrimidin-4-yl)acetic acid

2-(2-chloro-6-methylpyrimidin-4-yl)acetic acid (PubChem CID 83851953) has the molecular formula C7H7ClN2O2 and a molecular weight of 186.60 g/mol. Its IUPAC name is 2-(2-chloro-6-methylpyrimidin-4-yl)acetic acid.

Molecular Properties

Compound Name2-(2-chloro-6-methylpyrimidin-4-yl)acetic acid
PubChem CID83851953
Molecular FormulaC7H7ClN2O2
Molecular Weight186.60 g/mol
Exact Mass186.02
IUPAC Name2-(2-chloro-6-methylpyrimidin-4-yl)acetic acid
SMILESCc1cc(CC(=O)O)nc(Cl)n1
InChIInChI=1S/C7H7ClN2O2/c1-4-2-5(3-6(11)12)10-7(8)9-4/h2H,3H2,1H3,(H,11,12)
InChIKeyILRQIMJHUFXMCC-UHFFFAOYSA-N
XLogP1.07
TPSA63.08 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.60
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(2-chloro-6-methylpyrimidin-4-yl)acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-6-methylpyrimidin-4-yl)acetic acid?
The IUPAC name of 2-(2-chloro-6-methylpyrimidin-4-yl)acetic acid (CID 83851953) is 2-(2-chloro-6-methylpyrimidin-4-yl)acetic acid.
What is the SMILES notation for 2-(2-chloro-6-methylpyrimidin-4-yl)acetic acid?
The canonical SMILES for 2-(2-chloro-6-methylpyrimidin-4-yl)acetic acid is Cc1cc(CC(=O)O)nc(Cl)n1.
What is the InChIKey of 2-(2-chloro-6-methylpyrimidin-4-yl)acetic acid?
The InChIKey is ILRQIMJHUFXMCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7ClN2O2/c1-4-2-5(3-6(11)12)10-7(8)9-4/h2H,3H2,1H3,(H,11,12).
What are the key properties of 2-(2-chloro-6-methylpyrimidin-4-yl)acetic acid?
2-(2-chloro-6-methylpyrimidin-4-yl)acetic acid has a molecular weight of 186.60 g/mol, XLogP of 1.07, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-6-methylpyrimidin-4-yl)acetic acid is sourced from PubChem (CID 83851953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).