1,3,5-triacetylpyrimidine-2,4-dione

C10H10N2O5 — CID 150338766

IUPAC1,3,5-triacetylpyrimidine-2,4-dione
SMILESCC(=O)c1cn(C(C)=O)c(=O)n(C(C)=O)c1=O
InChIInChI=1S/C10H10N2O5/c1-5(13)8-4-11(6(2)14)10(17)12(7(3)15)9(8)16/h4H,1-3H3
InChIKeyGRFYCHOSWWUGIG-UHFFFAOYSA-N
MW238.20 g/mol
LogP-0.47
Rot. Bonds1

About 1,3,5-triacetylpyrimidine-2,4-dione

1,3,5-triacetylpyrimidine-2,4-dione (PubChem CID 150338766) has the molecular formula C10H10N2O5 and a molecular weight of 238.20 g/mol. Its IUPAC name is 1,3,5-triacetylpyrimidine-2,4-dione.

Molecular Properties

Compound Name1,3,5-triacetylpyrimidine-2,4-dione
PubChem CID150338766
Molecular FormulaC10H10N2O5
Molecular Weight238.20 g/mol
Exact Mass238.06
IUPAC Name1,3,5-triacetylpyrimidine-2,4-dione
SMILESCC(=O)c1cn(C(C)=O)c(=O)n(C(C)=O)c1=O
InChIInChI=1S/C10H10N2O5/c1-5(13)8-4-11(6(2)14)10(17)12(7(3)15)9(8)16/h4H,1-3H3
InChIKeyGRFYCHOSWWUGIG-UHFFFAOYSA-N
XLogP-0.47
TPSA95.21 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.20
LogP ≤ 5-0.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1,3,5-triacetylpyrimidine-2,4-dione?
The IUPAC name of 1,3,5-triacetylpyrimidine-2,4-dione (CID 150338766) is 1,3,5-triacetylpyrimidine-2,4-dione.
What is the SMILES notation for 1,3,5-triacetylpyrimidine-2,4-dione?
The canonical SMILES for 1,3,5-triacetylpyrimidine-2,4-dione is CC(=O)c1cn(C(C)=O)c(=O)n(C(C)=O)c1=O.
What is the InChIKey of 1,3,5-triacetylpyrimidine-2,4-dione?
The InChIKey is GRFYCHOSWWUGIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2O5/c1-5(13)8-4-11(6(2)14)10(17)12(7(3)15)9(8)16/h4H,1-3H3.
What are the key properties of 1,3,5-triacetylpyrimidine-2,4-dione?
1,3,5-triacetylpyrimidine-2,4-dione has a molecular weight of 238.20 g/mol, XLogP of -0.47, 1 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,5-triacetylpyrimidine-2,4-dione is sourced from PubChem (CID 150338766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).