5-acetyl-1,3-dimethylpyrimidine-2,4-dione

C8H10N2O3 — CID 899353

IUPAC5-acetyl-1,3-dimethylpyrimidine-2,4-dione
SMILESCC(=O)c1cn(C)c(=O)n(C)c1=O
InChIInChI=1S/C8H10N2O3/c1-5(11)6-4-9(2)8(13)10(3)7(6)12/h4H,1-3H3
InChIKeyBHNGDTRJOOFYCP-UHFFFAOYSA-N
MW182.18 g/mol
LogP-0.71
Rot. Bonds1

About 5-acetyl-1,3-dimethylpyrimidine-2,4-dione

5-acetyl-1,3-dimethylpyrimidine-2,4-dione (PubChem CID 899353) has the molecular formula C8H10N2O3 and a molecular weight of 182.18 g/mol. Its IUPAC name is 5-acetyl-1,3-dimethylpyrimidine-2,4-dione.

Molecular Properties

Compound Name5-acetyl-1,3-dimethylpyrimidine-2,4-dione
PubChem CID899353
Molecular FormulaC8H10N2O3
Molecular Weight182.18 g/mol
Exact Mass182.07
IUPAC Name5-acetyl-1,3-dimethylpyrimidine-2,4-dione
SMILESCC(=O)c1cn(C)c(=O)n(C)c1=O
InChIInChI=1S/C8H10N2O3/c1-5(11)6-4-9(2)8(13)10(3)7(6)12/h4H,1-3H3
InChIKeyBHNGDTRJOOFYCP-UHFFFAOYSA-N
XLogP-0.71
TPSA61.07 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.18
LogP ≤ 5-0.71
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-dimethylpyrimidine-2,4-dione?
The IUPAC name of 5-acetyl-1,3-dimethylpyrimidine-2,4-dione (CID 899353) is 5-acetyl-1,3-dimethylpyrimidine-2,4-dione.
What is the SMILES notation for 5-acetyl-1,3-dimethylpyrimidine-2,4-dione?
The canonical SMILES for 5-acetyl-1,3-dimethylpyrimidine-2,4-dione is CC(=O)c1cn(C)c(=O)n(C)c1=O.
What is the InChIKey of 5-acetyl-1,3-dimethylpyrimidine-2,4-dione?
The InChIKey is BHNGDTRJOOFYCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2O3/c1-5(11)6-4-9(2)8(13)10(3)7(6)12/h4H,1-3H3.
What are the key properties of 5-acetyl-1,3-dimethylpyrimidine-2,4-dione?
5-acetyl-1,3-dimethylpyrimidine-2,4-dione has a molecular weight of 182.18 g/mol, XLogP of -0.71, 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-dimethylpyrimidine-2,4-dione is sourced from PubChem (CID 899353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).