3-(4,6-dimethyl-2-oxopyrimidin-1-yl)-2,2-dimethylpropanoic acid

C11H16N2O3 — CID 79630141

IUPAC3-(4,6-dimethyl-2-oxopyrimidin-1-yl)-2,2-dimethylpropanoic acid
SMILESCc1cc(C)n(CC(C)(C)C(=O)O)c(=O)n1
InChIInChI=1S/C11H16N2O3/c1-7-5-8(2)13(10(16)12-7)6-11(3,4)9(14)15/h5H,6H2,1-4H3,(H,14,15)
InChIKeyTXIMVQWXAQVDEW-UHFFFAOYSA-N
MW224.26 g/mol
LogP0.97
Rot. Bonds3

About 3-(4,6-dimethyl-2-oxopyrimidin-1-yl)-2,2-dimethylpropanoic acid

3-(4,6-dimethyl-2-oxopyrimidin-1-yl)-2,2-dimethylpropanoic acid (PubChem CID 79630141) has the molecular formula C11H16N2O3 and a molecular weight of 224.26 g/mol. Its IUPAC name is 3-(4,6-dimethyl-2-oxopyrimidin-1-yl)-2,2-dimethylpropanoic acid.

Molecular Properties

Compound Name3-(4,6-dimethyl-2-oxopyrimidin-1-yl)-2,2-dimethylpropanoic acid
PubChem CID79630141
Molecular FormulaC11H16N2O3
Molecular Weight224.26 g/mol
Exact Mass224.12
IUPAC Name3-(4,6-dimethyl-2-oxopyrimidin-1-yl)-2,2-dimethylpropanoic acid
SMILESCc1cc(C)n(CC(C)(C)C(=O)O)c(=O)n1
InChIInChI=1S/C11H16N2O3/c1-7-5-8(2)13(10(16)12-7)6-11(3,4)9(14)15/h5H,6H2,1-4H3,(H,14,15)
InChIKeyTXIMVQWXAQVDEW-UHFFFAOYSA-N
XLogP0.97
TPSA72.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.26
LogP ≤ 50.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(4,6-dimethyl-2-oxopyrimidin-1-yl)-2,2-dimethylpropanoic acid?
The IUPAC name of 3-(4,6-dimethyl-2-oxopyrimidin-1-yl)-2,2-dimethylpropanoic acid (CID 79630141) is 3-(4,6-dimethyl-2-oxopyrimidin-1-yl)-2,2-dimethylpropanoic acid.
What is the SMILES notation for 3-(4,6-dimethyl-2-oxopyrimidin-1-yl)-2,2-dimethylpropanoic acid?
The canonical SMILES for 3-(4,6-dimethyl-2-oxopyrimidin-1-yl)-2,2-dimethylpropanoic acid is Cc1cc(C)n(CC(C)(C)C(=O)O)c(=O)n1.
What is the InChIKey of 3-(4,6-dimethyl-2-oxopyrimidin-1-yl)-2,2-dimethylpropanoic acid?
The InChIKey is TXIMVQWXAQVDEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O3/c1-7-5-8(2)13(10(16)12-7)6-11(3,4)9(14)15/h5H,6H2,1-4H3,(H,14,15).
What are the key properties of 3-(4,6-dimethyl-2-oxopyrimidin-1-yl)-2,2-dimethylpropanoic acid?
3-(4,6-dimethyl-2-oxopyrimidin-1-yl)-2,2-dimethylpropanoic acid has a molecular weight of 224.26 g/mol, XLogP of 0.97, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4,6-dimethyl-2-oxopyrimidin-1-yl)-2,2-dimethylpropanoic acid is sourced from PubChem (CID 79630141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).