5-(2,2-dimethylpropanoyl)-1H-pyrimidine-2,4-dione

C9H12N2O3 — CID 58554670

IUPAC5-(2,2-dimethylpropanoyl)-1H-pyrimidine-2,4-dione
SMILESCC(C)(C)C(=O)c1c[nH]c(=O)[nH]c1=O
InChIInChI=1S/C9H12N2O3/c1-9(2,3)6(12)5-4-10-8(14)11-7(5)13/h4H,1-3H3,(H2,10,11,13,14)
InChIKeyLOBCEPVSKJNWPF-UHFFFAOYSA-N
MW196.21 g/mol
LogP0.29
Rot. Bonds1

About 5-(2,2-dimethylpropanoyl)-1H-pyrimidine-2,4-dione

5-(2,2-dimethylpropanoyl)-1H-pyrimidine-2,4-dione (PubChem CID 58554670) has the molecular formula C9H12N2O3 and a molecular weight of 196.21 g/mol. Its IUPAC name is 5-(2,2-dimethylpropanoyl)-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-(2,2-dimethylpropanoyl)-1H-pyrimidine-2,4-dione
PubChem CID58554670
Molecular FormulaC9H12N2O3
Molecular Weight196.21 g/mol
Exact Mass196.08
IUPAC Name5-(2,2-dimethylpropanoyl)-1H-pyrimidine-2,4-dione
SMILESCC(C)(C)C(=O)c1c[nH]c(=O)[nH]c1=O
InChIInChI=1S/C9H12N2O3/c1-9(2,3)6(12)5-4-10-8(14)11-7(5)13/h4H,1-3H3,(H2,10,11,13,14)
InChIKeyLOBCEPVSKJNWPF-UHFFFAOYSA-N
XLogP0.29
TPSA82.79 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.21
LogP ≤ 50.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(2,2-dimethylpropanoyl)-1H-pyrimidine-2,4-dione?
The IUPAC name of 5-(2,2-dimethylpropanoyl)-1H-pyrimidine-2,4-dione (CID 58554670) is 5-(2,2-dimethylpropanoyl)-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 5-(2,2-dimethylpropanoyl)-1H-pyrimidine-2,4-dione?
The canonical SMILES for 5-(2,2-dimethylpropanoyl)-1H-pyrimidine-2,4-dione is CC(C)(C)C(=O)c1c[nH]c(=O)[nH]c1=O.
What is the InChIKey of 5-(2,2-dimethylpropanoyl)-1H-pyrimidine-2,4-dione?
The InChIKey is LOBCEPVSKJNWPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O3/c1-9(2,3)6(12)5-4-10-8(14)11-7(5)13/h4H,1-3H3,(H2,10,11,13,14).
What are the key properties of 5-(2,2-dimethylpropanoyl)-1H-pyrimidine-2,4-dione?
5-(2,2-dimethylpropanoyl)-1H-pyrimidine-2,4-dione has a molecular weight of 196.21 g/mol, XLogP of 0.29, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,2-dimethylpropanoyl)-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 58554670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).