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

C8H10N2O2 — CID 19778895

IUPAC2-(4,6-dimethylpyrimidin-2-yl)acetic acid
SMILESCc1cc(C)nc(CC(=O)O)n1
InChIInChI=1S/C8H10N2O2/c1-5-3-6(2)10-7(9-5)4-8(11)12/h3H,4H2,1-2H3,(H,11,12)
InChIKeyLIYJRKQYMAPWGS-UHFFFAOYSA-N
MW166.18 g/mol
LogP0.72
Rot. Bonds2

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

2-(4,6-dimethylpyrimidin-2-yl)acetic acid (PubChem CID 19778895) has the molecular formula C8H10N2O2 and a molecular weight of 166.18 g/mol. Its IUPAC name is 2-(4,6-dimethylpyrimidin-2-yl)acetic acid.

Molecular Properties

Compound Name2-(4,6-dimethylpyrimidin-2-yl)acetic acid
PubChem CID19778895
Molecular FormulaC8H10N2O2
Molecular Weight166.18 g/mol
Exact Mass166.07
IUPAC Name2-(4,6-dimethylpyrimidin-2-yl)acetic acid
SMILESCc1cc(C)nc(CC(=O)O)n1
InChIInChI=1S/C8H10N2O2/c1-5-3-6(2)10-7(9-5)4-8(11)12/h3H,4H2,1-2H3,(H,11,12)
InChIKeyLIYJRKQYMAPWGS-UHFFFAOYSA-N
XLogP0.72
TPSA63.08 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.18
LogP ≤ 50.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-((4,6-Dimethyl-2-pyrimidinyl)thio)acetic acid
CID 41567
2-((4,6-Dimethylpyrimidin-2-yl)amino)-2-methylpropanoic acid
CID 741704
2-{5,7-Dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl}acetic acid
CID 774409
2-(4,6-Dimethylpyrimidin-2-yl)acetamide
CID 659932
3-[(4,6-dimethylpyrimidin-2-yl)amino]propanoic Acid
CID 735547
2-(4,6-Dimethyl-pyrimidin-2-ylsulfanyl)-butyric acid
CID 2917118
2-(4,6-Dimethyl-pyrimidin-2-ylsulfanyl)-propionic acid
CID 2772428
2,4,6-Trimethylpyrimidine
CID 817251
Methyl 4,6-dimethylpyrimidine-2-carboxylate
CID 12276698
(4,6-Dimethylpyrimidin-2-yl)methanol
CID 12376136
N-(4,6-dimethylpyrimidin-2-yl)-N-methylglycine
CID 312675
4-[(4,6-Dimethylpyrimidin-2-yl)amino]butanoic acid
CID 1617677

Frequently Asked Questions

What is the IUPAC name of 2-(4,6-dimethylpyrimidin-2-yl)acetic acid?
The IUPAC name of 2-(4,6-dimethylpyrimidin-2-yl)acetic acid (CID 19778895) is 2-(4,6-dimethylpyrimidin-2-yl)acetic acid.
What is the SMILES notation for 2-(4,6-dimethylpyrimidin-2-yl)acetic acid?
The canonical SMILES for 2-(4,6-dimethylpyrimidin-2-yl)acetic acid is Cc1cc(C)nc(CC(=O)O)n1.
What is the InChIKey of 2-(4,6-dimethylpyrimidin-2-yl)acetic acid?
The InChIKey is LIYJRKQYMAPWGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2O2/c1-5-3-6(2)10-7(9-5)4-8(11)12/h3H,4H2,1-2H3,(H,11,12).
What are the key properties of 2-(4,6-dimethylpyrimidin-2-yl)acetic acid?
2-(4,6-dimethylpyrimidin-2-yl)acetic acid has a molecular weight of 166.18 g/mol, XLogP of 0.72, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,6-dimethylpyrimidin-2-yl)acetic acid is sourced from PubChem (CID 19778895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).