2-(4-methyl-6-propan-2-ylpyrimidin-2-yl)oxyacetic acid

C10H14N2O3 — CID 114335295

IUPAC2-(4-methyl-6-propan-2-ylpyrimidin-2-yl)oxyacetic acid
SMILESCc1cc(C(C)C)nc(OCC(=O)O)n1
InChIInChI=1S/C10H14N2O3/c1-6(2)8-4-7(3)11-10(12-8)15-5-9(13)14/h4,6H,5H2,1-3H3,(H,13,14)
InChIKeyLCLBWQYFKAZTQE-UHFFFAOYSA-N
MW210.23 g/mol
LogP1.37
Rot. Bonds4

About 2-(4-methyl-6-propan-2-ylpyrimidin-2-yl)oxyacetic acid

2-(4-methyl-6-propan-2-ylpyrimidin-2-yl)oxyacetic acid (PubChem CID 114335295) has the molecular formula C10H14N2O3 and a molecular weight of 210.23 g/mol. Its IUPAC name is 2-(4-methyl-6-propan-2-ylpyrimidin-2-yl)oxyacetic acid.

Molecular Properties

Compound Name2-(4-methyl-6-propan-2-ylpyrimidin-2-yl)oxyacetic acid
PubChem CID114335295
Molecular FormulaC10H14N2O3
Molecular Weight210.23 g/mol
Exact Mass210.10
IUPAC Name2-(4-methyl-6-propan-2-ylpyrimidin-2-yl)oxyacetic acid
SMILESCc1cc(C(C)C)nc(OCC(=O)O)n1
InChIInChI=1S/C10H14N2O3/c1-6(2)8-4-7(3)11-10(12-8)15-5-9(13)14/h4,6H,5H2,1-3H3,(H,13,14)
InChIKeyLCLBWQYFKAZTQE-UHFFFAOYSA-N
XLogP1.37
TPSA72.31 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.23
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-methyl-6-propan-2-yl-2-propoxypyrimidine
CID 176993586
3-[(4-methyl-6-propan-2-ylpyrimidin-2-yl)oxymethyl]pentan-3-amine
CID 113491586
2-methyl-4-(4-methyl-6-propan-2-ylpyrimidin-2-yl)oxybenzoic acid
CID 107672524
2-fluoro-4-(4-methyl-6-propan-2-ylpyrimidin-2-yl)oxybenzoic acid
CID 107677350
2,2-dimethyl-3-(4-methyl-6-propan-2-ylpyrimidin-2-yl)propanoic acid
CID 116894263
methyl 2-methyl-2-(4-methyl-6-propan-2-ylpyrimidin-2-yl)propanoate
CID 116895269
[2-(4-methyl-6-propan-2-ylpyrimidin-2-yl)oxyphenyl]methanol
CID 107713463
2-[methyl-(4-methyl-6-propan-2-ylpyrimidin-2-yl)amino]butanoic acid
CID 113491416
2-(2-methylquinolin-4-yl)oxyacetic acid
CID 658584
2-[(4-cyano-6-methyl-2-pyridinyl)oxy]acetic acid
CID 114770401
2-(2,2-difluoroethoxy)-6-methylpyrimidine-4-carboxylic acid
CID 107555002
2-(4-methyl-6-propan-2-ylpyrimidin-2-yl)ethanol
CID 116893893

Frequently Asked Questions

What is the IUPAC name of 2-(4-methyl-6-propan-2-ylpyrimidin-2-yl)oxyacetic acid?
The IUPAC name of 2-(4-methyl-6-propan-2-ylpyrimidin-2-yl)oxyacetic acid (CID 114335295) is 2-(4-methyl-6-propan-2-ylpyrimidin-2-yl)oxyacetic acid.
What is the SMILES notation for 2-(4-methyl-6-propan-2-ylpyrimidin-2-yl)oxyacetic acid?
The canonical SMILES for 2-(4-methyl-6-propan-2-ylpyrimidin-2-yl)oxyacetic acid is Cc1cc(C(C)C)nc(OCC(=O)O)n1.
What is the InChIKey of 2-(4-methyl-6-propan-2-ylpyrimidin-2-yl)oxyacetic acid?
The InChIKey is LCLBWQYFKAZTQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O3/c1-6(2)8-4-7(3)11-10(12-8)15-5-9(13)14/h4,6H,5H2,1-3H3,(H,13,14).
What are the key properties of 2-(4-methyl-6-propan-2-ylpyrimidin-2-yl)oxyacetic acid?
2-(4-methyl-6-propan-2-ylpyrimidin-2-yl)oxyacetic acid has a molecular weight of 210.23 g/mol, XLogP of 1.37, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methyl-6-propan-2-ylpyrimidin-2-yl)oxyacetic acid is sourced from PubChem (CID 114335295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).