5-acetyl-3-pentan-2-yl-1H-pyrimidine-2,4-dione

C11H16N2O3 — CID 80643333

IUPAC5-acetyl-3-pentan-2-yl-1H-pyrimidine-2,4-dione
SMILESCCCC(C)n1c(=O)[nH]cc(C(C)=O)c1=O
InChIInChI=1S/C11H16N2O3/c1-4-5-7(2)13-10(15)9(8(3)14)6-12-11(13)16/h6-7H,4-5H2,1-3H3,(H,12,16)
InChIKeyAGIPCYADJLXSPB-UHFFFAOYSA-N
MW224.26 g/mol
LogP1.10
Rot. Bonds4

About 5-acetyl-3-pentan-2-yl-1H-pyrimidine-2,4-dione

5-acetyl-3-pentan-2-yl-1H-pyrimidine-2,4-dione (PubChem CID 80643333) has the molecular formula C11H16N2O3 and a molecular weight of 224.26 g/mol. Its IUPAC name is 5-acetyl-3-pentan-2-yl-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-acetyl-3-pentan-2-yl-1H-pyrimidine-2,4-dione
PubChem CID80643333
Molecular FormulaC11H16N2O3
Molecular Weight224.26 g/mol
Exact Mass224.12
IUPAC Name5-acetyl-3-pentan-2-yl-1H-pyrimidine-2,4-dione
SMILESCCCC(C)n1c(=O)[nH]cc(C(C)=O)c1=O
InChIInChI=1S/C11H16N2O3/c1-4-5-7(2)13-10(15)9(8(3)14)6-12-11(13)16/h6-7H,4-5H2,1-3H3,(H,12,16)
InChIKeyAGIPCYADJLXSPB-UHFFFAOYSA-N
XLogP1.10
TPSA71.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.26
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-acetyl-3-pentan-2-yl-1H-pyrimidine-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 5-acetyl-3-pentan-2-yl-1H-pyrimidine-2,4-dione?
The IUPAC name of 5-acetyl-3-pentan-2-yl-1H-pyrimidine-2,4-dione (CID 80643333) is 5-acetyl-3-pentan-2-yl-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 5-acetyl-3-pentan-2-yl-1H-pyrimidine-2,4-dione?
The canonical SMILES for 5-acetyl-3-pentan-2-yl-1H-pyrimidine-2,4-dione is CCCC(C)n1c(=O)[nH]cc(C(C)=O)c1=O.
What is the InChIKey of 5-acetyl-3-pentan-2-yl-1H-pyrimidine-2,4-dione?
The InChIKey is AGIPCYADJLXSPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O3/c1-4-5-7(2)13-10(15)9(8(3)14)6-12-11(13)16/h6-7H,4-5H2,1-3H3,(H,12,16).
What are the key properties of 5-acetyl-3-pentan-2-yl-1H-pyrimidine-2,4-dione?
5-acetyl-3-pentan-2-yl-1H-pyrimidine-2,4-dione has a molecular weight of 224.26 g/mol, XLogP of 1.10, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-acetyl-3-pentan-2-yl-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 80643333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).