1-(4,4-dimethylpentanoyl)-5-fluoropyrimidine-2,4-dione

C11H15FN2O3 — CID 121459559

IUPAC1-(4,4-dimethylpentanoyl)-5-fluoropyrimidine-2,4-dione
SMILESCC(C)(C)CCC(=O)n1cc(F)c(=O)[nH]c1=O
InChIInChI=1S/C11H15FN2O3/c1-11(2,3)5-4-8(15)14-6-7(12)9(16)13-10(14)17/h6H,4-5H2,1-3H3,(H,13,16,17)
InChIKeyRCRAFEZWOIXIGN-UHFFFAOYSA-N
MW242.25 g/mol
LogP1.14
Rot. Bonds2

About 1-(4,4-dimethylpentanoyl)-5-fluoropyrimidine-2,4-dione

1-(4,4-dimethylpentanoyl)-5-fluoropyrimidine-2,4-dione (PubChem CID 121459559) has the molecular formula C11H15FN2O3 and a molecular weight of 242.25 g/mol. Its IUPAC name is 1-(4,4-dimethylpentanoyl)-5-fluoropyrimidine-2,4-dione.

Molecular Properties

Compound Name1-(4,4-dimethylpentanoyl)-5-fluoropyrimidine-2,4-dione
PubChem CID121459559
Molecular FormulaC11H15FN2O3
Molecular Weight242.25 g/mol
Exact Mass242.11
IUPAC Name1-(4,4-dimethylpentanoyl)-5-fluoropyrimidine-2,4-dione
SMILESCC(C)(C)CCC(=O)n1cc(F)c(=O)[nH]c1=O
InChIInChI=1S/C11H15FN2O3/c1-11(2,3)5-4-8(15)14-6-7(12)9(16)13-10(14)17/h6H,4-5H2,1-3H3,(H,13,16,17)
InChIKeyRCRAFEZWOIXIGN-UHFFFAOYSA-N
XLogP1.14
TPSA71.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.25
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-(4,4-dimethylpentanoyl)-5-fluoropyrimidine-2,4-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(4,4-dimethylpentanoyl)-5-fluoropyrimidine-2,4-dione?
The IUPAC name of 1-(4,4-dimethylpentanoyl)-5-fluoropyrimidine-2,4-dione (CID 121459559) is 1-(4,4-dimethylpentanoyl)-5-fluoropyrimidine-2,4-dione.
What is the SMILES notation for 1-(4,4-dimethylpentanoyl)-5-fluoropyrimidine-2,4-dione?
The canonical SMILES for 1-(4,4-dimethylpentanoyl)-5-fluoropyrimidine-2,4-dione is CC(C)(C)CCC(=O)n1cc(F)c(=O)[nH]c1=O.
What is the InChIKey of 1-(4,4-dimethylpentanoyl)-5-fluoropyrimidine-2,4-dione?
The InChIKey is RCRAFEZWOIXIGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15FN2O3/c1-11(2,3)5-4-8(15)14-6-7(12)9(16)13-10(14)17/h6H,4-5H2,1-3H3,(H,13,16,17).
What are the key properties of 1-(4,4-dimethylpentanoyl)-5-fluoropyrimidine-2,4-dione?
1-(4,4-dimethylpentanoyl)-5-fluoropyrimidine-2,4-dione has a molecular weight of 242.25 g/mol, XLogP of 1.14, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,4-dimethylpentanoyl)-5-fluoropyrimidine-2,4-dione is sourced from PubChem (CID 121459559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).