5-(3,3-dimethylbutyl)-2,4-dioxo-1H-pyrimidine-6-carboxylic acid

C11H16N2O4 — CID 71816171

IUPAC5-(3,3-dimethylbutyl)-2,4-dioxo-1H-pyrimidine-6-carboxylic acid
SMILESCC(C)(C)CCc1c(C(=O)O)[nH]c(=O)[nH]c1=O
InChIInChI=1S/C11H16N2O4/c1-11(2,3)5-4-6-7(9(15)16)12-10(17)13-8(6)14/h4-5H2,1-3H3,(H,15,16)(H2,12,13,14,17)
InChIKeyHROWFJPIAGSCKL-UHFFFAOYSA-N
MW240.26 g/mol
LogP0.74
Rot. Bonds3

About 5-(3,3-dimethylbutyl)-2,4-dioxo-1H-pyrimidine-6-carboxylic acid

5-(3,3-dimethylbutyl)-2,4-dioxo-1H-pyrimidine-6-carboxylic acid (PubChem CID 71816171) has the molecular formula C11H16N2O4 and a molecular weight of 240.26 g/mol. Its IUPAC name is 5-(3,3-dimethylbutyl)-2,4-dioxo-1H-pyrimidine-6-carboxylic acid.

Molecular Properties

Compound Name5-(3,3-dimethylbutyl)-2,4-dioxo-1H-pyrimidine-6-carboxylic acid
PubChem CID71816171
Molecular FormulaC11H16N2O4
Molecular Weight240.26 g/mol
Exact Mass240.11
IUPAC Name5-(3,3-dimethylbutyl)-2,4-dioxo-1H-pyrimidine-6-carboxylic acid
SMILESCC(C)(C)CCc1c(C(=O)O)[nH]c(=O)[nH]c1=O
InChIInChI=1S/C11H16N2O4/c1-11(2,3)5-4-6-7(9(15)16)12-10(17)13-8(6)14/h4-5H2,1-3H3,(H,15,16)(H2,12,13,14,17)
InChIKeyHROWFJPIAGSCKL-UHFFFAOYSA-N
XLogP0.74
TPSA103.02 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.26
LogP ≤ 50.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(3,3-dimethylbutyl)-2,4-dioxo-1H-pyrimidine-6-carboxylic acid?
The IUPAC name of 5-(3,3-dimethylbutyl)-2,4-dioxo-1H-pyrimidine-6-carboxylic acid (CID 71816171) is 5-(3,3-dimethylbutyl)-2,4-dioxo-1H-pyrimidine-6-carboxylic acid.
What is the SMILES notation for 5-(3,3-dimethylbutyl)-2,4-dioxo-1H-pyrimidine-6-carboxylic acid?
The canonical SMILES for 5-(3,3-dimethylbutyl)-2,4-dioxo-1H-pyrimidine-6-carboxylic acid is CC(C)(C)CCc1c(C(=O)O)[nH]c(=O)[nH]c1=O.
What is the InChIKey of 5-(3,3-dimethylbutyl)-2,4-dioxo-1H-pyrimidine-6-carboxylic acid?
The InChIKey is HROWFJPIAGSCKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O4/c1-11(2,3)5-4-6-7(9(15)16)12-10(17)13-8(6)14/h4-5H2,1-3H3,(H,15,16)(H2,12,13,14,17).
What are the key properties of 5-(3,3-dimethylbutyl)-2,4-dioxo-1H-pyrimidine-6-carboxylic acid?
5-(3,3-dimethylbutyl)-2,4-dioxo-1H-pyrimidine-6-carboxylic acid has a molecular weight of 240.26 g/mol, XLogP of 0.74, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,3-dimethylbutyl)-2,4-dioxo-1H-pyrimidine-6-carboxylic acid is sourced from PubChem (CID 71816171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).