2-methyl-2-pyrimidin-4-ylpropanoic acid

C8H10N2O2 — CID 82414356

IUPAC2-methyl-2-pyrimidin-4-ylpropanoic acid
SMILESCC(C)(C(=O)O)c1ccncn1
InChIInChI=1S/C8H10N2O2/c1-8(2,7(11)12)6-3-4-9-5-10-6/h3-5H,1-2H3,(H,11,12)
InChIKeyAFWQQQUISDFQIW-UHFFFAOYSA-N
MW166.18 g/mol
LogP0.84
Rot. Bonds2

About 2-methyl-2-pyrimidin-4-ylpropanoic acid

2-methyl-2-pyrimidin-4-ylpropanoic acid (PubChem CID 82414356) has the molecular formula C8H10N2O2 and a molecular weight of 166.18 g/mol. Its IUPAC name is 2-methyl-2-pyrimidin-4-ylpropanoic acid.

Molecular Properties

Compound Name2-methyl-2-pyrimidin-4-ylpropanoic acid
PubChem CID82414356
Molecular FormulaC8H10N2O2
Molecular Weight166.18 g/mol
Exact Mass166.07
IUPAC Name2-methyl-2-pyrimidin-4-ylpropanoic acid
SMILESCC(C)(C(=O)O)c1ccncn1
InChIInChI=1S/C8H10N2O2/c1-8(2,7(11)12)6-3-4-9-5-10-6/h3-5H,1-2H3,(H,11,12)
InChIKeyAFWQQQUISDFQIW-UHFFFAOYSA-N
XLogP0.84
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 ≤ 50.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-pyrimidin-4-ylpropanoic acid?
The IUPAC name of 2-methyl-2-pyrimidin-4-ylpropanoic acid (CID 82414356) is 2-methyl-2-pyrimidin-4-ylpropanoic acid.
What is the SMILES notation for 2-methyl-2-pyrimidin-4-ylpropanoic acid?
The canonical SMILES for 2-methyl-2-pyrimidin-4-ylpropanoic acid is CC(C)(C(=O)O)c1ccncn1.
What is the InChIKey of 2-methyl-2-pyrimidin-4-ylpropanoic acid?
The InChIKey is AFWQQQUISDFQIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2O2/c1-8(2,7(11)12)6-3-4-9-5-10-6/h3-5H,1-2H3,(H,11,12).
What are the key properties of 2-methyl-2-pyrimidin-4-ylpropanoic acid?
2-methyl-2-pyrimidin-4-ylpropanoic acid has a molecular weight of 166.18 g/mol, XLogP of 0.84, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-pyrimidin-4-ylpropanoic acid is sourced from PubChem (CID 82414356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).