1,3-dimethyl-5-propanoylpyrimidine-2,4-dione

C9H12N2O3 — CID 28939780

IUPAC1,3-dimethyl-5-propanoylpyrimidine-2,4-dione
SMILESCCC(=O)c1cn(C)c(=O)n(C)c1=O
InChIInChI=1S/C9H12N2O3/c1-4-7(12)6-5-10(2)9(14)11(3)8(6)13/h5H,4H2,1-3H3
InChIKeyUSJDBVODMNRRME-UHFFFAOYSA-N
MW196.21 g/mol
LogP-0.32
Rot. Bonds2

About 1,3-dimethyl-5-propanoylpyrimidine-2,4-dione

1,3-dimethyl-5-propanoylpyrimidine-2,4-dione (PubChem CID 28939780) has the molecular formula C9H12N2O3 and a molecular weight of 196.21 g/mol. Its IUPAC name is 1,3-dimethyl-5-propanoylpyrimidine-2,4-dione.

Molecular Properties

Compound Name1,3-dimethyl-5-propanoylpyrimidine-2,4-dione
PubChem CID28939780
Molecular FormulaC9H12N2O3
Molecular Weight196.21 g/mol
Exact Mass196.08
IUPAC Name1,3-dimethyl-5-propanoylpyrimidine-2,4-dione
SMILESCCC(=O)c1cn(C)c(=O)n(C)c1=O
InChIInChI=1S/C9H12N2O3/c1-4-7(12)6-5-10(2)9(14)11(3)8(6)13/h5H,4H2,1-3H3
InChIKeyUSJDBVODMNRRME-UHFFFAOYSA-N
XLogP-0.32
TPSA61.07 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.21
LogP ≤ 5-0.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1,3-dimethyl-5-propanoylpyrimidine-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 1,3-dimethyl-5-propanoylpyrimidine-2,4-dione?
The IUPAC name of 1,3-dimethyl-5-propanoylpyrimidine-2,4-dione (CID 28939780) is 1,3-dimethyl-5-propanoylpyrimidine-2,4-dione.
What is the SMILES notation for 1,3-dimethyl-5-propanoylpyrimidine-2,4-dione?
The canonical SMILES for 1,3-dimethyl-5-propanoylpyrimidine-2,4-dione is CCC(=O)c1cn(C)c(=O)n(C)c1=O.
What is the InChIKey of 1,3-dimethyl-5-propanoylpyrimidine-2,4-dione?
The InChIKey is USJDBVODMNRRME-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O3/c1-4-7(12)6-5-10(2)9(14)11(3)8(6)13/h5H,4H2,1-3H3.
What are the key properties of 1,3-dimethyl-5-propanoylpyrimidine-2,4-dione?
1,3-dimethyl-5-propanoylpyrimidine-2,4-dione has a molecular weight of 196.21 g/mol, XLogP of -0.32, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-5-propanoylpyrimidine-2,4-dione is sourced from PubChem (CID 28939780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).