2-(2,4-dioxo-1H-pyrimidin-6-yl)-2-methylpropanoic acid

C8H10N2O4 — CID 83856782

IUPAC2-(2,4-dioxo-1H-pyrimidin-6-yl)-2-methylpropanoic acid
SMILESCC(C)(C(=O)O)c1cc(=O)[nH]c(=O)[nH]1
InChIInChI=1S/C8H10N2O4/c1-8(2,6(12)13)4-3-5(11)10-7(14)9-4/h3H,1-2H3,(H,12,13)(H2,9,10,11,14)
InChIKeyDAFPZMQGKVTFCU-UHFFFAOYSA-N
MW198.18 g/mol
LogP-0.57
Rot. Bonds2

About 2-(2,4-dioxo-1H-pyrimidin-6-yl)-2-methylpropanoic acid

2-(2,4-dioxo-1H-pyrimidin-6-yl)-2-methylpropanoic acid (PubChem CID 83856782) has the molecular formula C8H10N2O4 and a molecular weight of 198.18 g/mol. Its IUPAC name is 2-(2,4-dioxo-1H-pyrimidin-6-yl)-2-methylpropanoic acid.

Molecular Properties

Compound Name2-(2,4-dioxo-1H-pyrimidin-6-yl)-2-methylpropanoic acid
PubChem CID83856782
Molecular FormulaC8H10N2O4
Molecular Weight198.18 g/mol
Exact Mass198.06
IUPAC Name2-(2,4-dioxo-1H-pyrimidin-6-yl)-2-methylpropanoic acid
SMILESCC(C)(C(=O)O)c1cc(=O)[nH]c(=O)[nH]1
InChIInChI=1S/C8H10N2O4/c1-8(2,6(12)13)4-3-5(11)10-7(14)9-4/h3H,1-2H3,(H,12,13)(H2,9,10,11,14)
InChIKeyDAFPZMQGKVTFCU-UHFFFAOYSA-N
XLogP-0.57
TPSA103.02 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.18
LogP ≤ 5-0.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dioxo-1H-pyrimidin-6-yl)-2-methylpropanoic acid?
The IUPAC name of 2-(2,4-dioxo-1H-pyrimidin-6-yl)-2-methylpropanoic acid (CID 83856782) is 2-(2,4-dioxo-1H-pyrimidin-6-yl)-2-methylpropanoic acid.
What is the SMILES notation for 2-(2,4-dioxo-1H-pyrimidin-6-yl)-2-methylpropanoic acid?
The canonical SMILES for 2-(2,4-dioxo-1H-pyrimidin-6-yl)-2-methylpropanoic acid is CC(C)(C(=O)O)c1cc(=O)[nH]c(=O)[nH]1.
What is the InChIKey of 2-(2,4-dioxo-1H-pyrimidin-6-yl)-2-methylpropanoic acid?
The InChIKey is DAFPZMQGKVTFCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2O4/c1-8(2,6(12)13)4-3-5(11)10-7(14)9-4/h3H,1-2H3,(H,12,13)(H2,9,10,11,14).
What are the key properties of 2-(2,4-dioxo-1H-pyrimidin-6-yl)-2-methylpropanoic acid?
2-(2,4-dioxo-1H-pyrimidin-6-yl)-2-methylpropanoic acid has a molecular weight of 198.18 g/mol, XLogP of -0.57, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dioxo-1H-pyrimidin-6-yl)-2-methylpropanoic acid is sourced from PubChem (CID 83856782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).