5-acetyl-1,3,6-trimethylpyrimidine-2,4-dione

C9H12N2O3 — CID 12623548

IUPAC5-acetyl-1,3,6-trimethylpyrimidine-2,4-dione
SMILESCC(=O)c1c(C)n(C)c(=O)n(C)c1=O
InChIInChI=1S/C9H12N2O3/c1-5-7(6(2)12)8(13)11(4)9(14)10(5)3/h1-4H3
InChIKeyJGONZFFHRLTSBM-UHFFFAOYSA-N
MW196.21 g/mol
LogP-0.40
Rot. Bonds1

About 5-acetyl-1,3,6-trimethylpyrimidine-2,4-dione

5-acetyl-1,3,6-trimethylpyrimidine-2,4-dione (PubChem CID 12623548) has the molecular formula C9H12N2O3 and a molecular weight of 196.21 g/mol. Its IUPAC name is 5-acetyl-1,3,6-trimethylpyrimidine-2,4-dione.

Molecular Properties

Compound Name5-acetyl-1,3,6-trimethylpyrimidine-2,4-dione
PubChem CID12623548
Molecular FormulaC9H12N2O3
Molecular Weight196.21 g/mol
Exact Mass196.08
IUPAC Name5-acetyl-1,3,6-trimethylpyrimidine-2,4-dione
SMILESCC(=O)c1c(C)n(C)c(=O)n(C)c1=O
InChIInChI=1S/C9H12N2O3/c1-5-7(6(2)12)8(13)11(4)9(14)10(5)3/h1-4H3
InChIKeyJGONZFFHRLTSBM-UHFFFAOYSA-N
XLogP-0.40
TPSA61.07 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.21
LogP ≤ 5-0.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-acetyl-1,3,6-trimethylpyrimidine-2,4-dione?
The IUPAC name of 5-acetyl-1,3,6-trimethylpyrimidine-2,4-dione (CID 12623548) is 5-acetyl-1,3,6-trimethylpyrimidine-2,4-dione.
What is the SMILES notation for 5-acetyl-1,3,6-trimethylpyrimidine-2,4-dione?
The canonical SMILES for 5-acetyl-1,3,6-trimethylpyrimidine-2,4-dione is CC(=O)c1c(C)n(C)c(=O)n(C)c1=O.
What is the InChIKey of 5-acetyl-1,3,6-trimethylpyrimidine-2,4-dione?
The InChIKey is JGONZFFHRLTSBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O3/c1-5-7(6(2)12)8(13)11(4)9(14)10(5)3/h1-4H3.
What are the key properties of 5-acetyl-1,3,6-trimethylpyrimidine-2,4-dione?
5-acetyl-1,3,6-trimethylpyrimidine-2,4-dione has a molecular weight of 196.21 g/mol, XLogP of -0.40, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-acetyl-1,3,6-trimethylpyrimidine-2,4-dione is sourced from PubChem (CID 12623548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).