5-(2,2-dimethylpropanoyl)-1,3-dimethylpyrimidine-2,4-dione

C11H16N2O3 — CID 43161186

IUPAC5-(2,2-dimethylpropanoyl)-1,3-dimethylpyrimidine-2,4-dione
SMILESCn1cc(C(=O)C(C)(C)C)c(=O)n(C)c1=O
InChIInChI=1S/C11H16N2O3/c1-11(2,3)8(14)7-6-12(4)10(16)13(5)9(7)15/h6H,1-5H3
InChIKeyAEPKRHSPQNOQDL-UHFFFAOYSA-N
MW224.26 g/mol
LogP0.31
Rot. Bonds1

About 5-(2,2-dimethylpropanoyl)-1,3-dimethylpyrimidine-2,4-dione

5-(2,2-dimethylpropanoyl)-1,3-dimethylpyrimidine-2,4-dione (PubChem CID 43161186) has the molecular formula C11H16N2O3 and a molecular weight of 224.26 g/mol. Its IUPAC name is 5-(2,2-dimethylpropanoyl)-1,3-dimethylpyrimidine-2,4-dione.

Molecular Properties

Compound Name5-(2,2-dimethylpropanoyl)-1,3-dimethylpyrimidine-2,4-dione
PubChem CID43161186
Molecular FormulaC11H16N2O3
Molecular Weight224.26 g/mol
Exact Mass224.12
IUPAC Name5-(2,2-dimethylpropanoyl)-1,3-dimethylpyrimidine-2,4-dione
SMILESCn1cc(C(=O)C(C)(C)C)c(=O)n(C)c1=O
InChIInChI=1S/C11H16N2O3/c1-11(2,3)8(14)7-6-12(4)10(16)13(5)9(7)15/h6H,1-5H3
InChIKeyAEPKRHSPQNOQDL-UHFFFAOYSA-N
XLogP0.31
TPSA61.07 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.26
LogP ≤ 50.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(2,2-dimethylpropanoyl)-1,3-dimethylpyrimidine-2,4-dione?
The IUPAC name of 5-(2,2-dimethylpropanoyl)-1,3-dimethylpyrimidine-2,4-dione (CID 43161186) is 5-(2,2-dimethylpropanoyl)-1,3-dimethylpyrimidine-2,4-dione.
What is the SMILES notation for 5-(2,2-dimethylpropanoyl)-1,3-dimethylpyrimidine-2,4-dione?
The canonical SMILES for 5-(2,2-dimethylpropanoyl)-1,3-dimethylpyrimidine-2,4-dione is Cn1cc(C(=O)C(C)(C)C)c(=O)n(C)c1=O.
What is the InChIKey of 5-(2,2-dimethylpropanoyl)-1,3-dimethylpyrimidine-2,4-dione?
The InChIKey is AEPKRHSPQNOQDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O3/c1-11(2,3)8(14)7-6-12(4)10(16)13(5)9(7)15/h6H,1-5H3.
What are the key properties of 5-(2,2-dimethylpropanoyl)-1,3-dimethylpyrimidine-2,4-dione?
5-(2,2-dimethylpropanoyl)-1,3-dimethylpyrimidine-2,4-dione has a molecular weight of 224.26 g/mol, XLogP of 0.31, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,2-dimethylpropanoyl)-1,3-dimethylpyrimidine-2,4-dione is sourced from PubChem (CID 43161186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).