3-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)-2-methylpropanoic acid

C10H14N2O3 — CID 65293976

IUPAC3-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)-2-methylpropanoic acid
SMILESCc1nc(=O)[nH]c(C)c1CC(C)C(=O)O
InChIInChI=1S/C10H14N2O3/c1-5(9(13)14)4-8-6(2)11-10(15)12-7(8)3/h5H,4H2,1-3H3,(H,13,14)(H,11,12,15)
InChIKeyICDWXEOEXYXVAL-UHFFFAOYSA-N
MW210.23 g/mol
LogP0.65
Rot. Bonds3

About 3-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)-2-methylpropanoic acid

3-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)-2-methylpropanoic acid (PubChem CID 65293976) has the molecular formula C10H14N2O3 and a molecular weight of 210.23 g/mol. Its IUPAC name is 3-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)-2-methylpropanoic acid.

Molecular Properties

Compound Name3-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)-2-methylpropanoic acid
PubChem CID65293976
Molecular FormulaC10H14N2O3
Molecular Weight210.23 g/mol
Exact Mass210.10
IUPAC Name3-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)-2-methylpropanoic acid
SMILESCc1nc(=O)[nH]c(C)c1CC(C)C(=O)O
InChIInChI=1S/C10H14N2O3/c1-5(9(13)14)4-8-6(2)11-10(15)12-7(8)3/h5H,4H2,1-3H3,(H,13,14)(H,11,12,15)
InChIKeyICDWXEOEXYXVAL-UHFFFAOYSA-N
XLogP0.65
TPSA83.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.23
LogP ≤ 50.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)-2-methylpropanoic acid?
The IUPAC name of 3-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)-2-methylpropanoic acid (CID 65293976) is 3-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)-2-methylpropanoic acid.
What is the SMILES notation for 3-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)-2-methylpropanoic acid?
The canonical SMILES for 3-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)-2-methylpropanoic acid is Cc1nc(=O)[nH]c(C)c1CC(C)C(=O)O.
What is the InChIKey of 3-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)-2-methylpropanoic acid?
The InChIKey is ICDWXEOEXYXVAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O3/c1-5(9(13)14)4-8-6(2)11-10(15)12-7(8)3/h5H,4H2,1-3H3,(H,13,14)(H,11,12,15).
What are the key properties of 3-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)-2-methylpropanoic acid?
3-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)-2-methylpropanoic acid has a molecular weight of 210.23 g/mol, XLogP of 0.65, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)-2-methylpropanoic acid is sourced from PubChem (CID 65293976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).