3,5-diacetyl-1H-pyrimidine-2,4-dione

C8H8N2O4 — CID 174535800

IUPAC3,5-diacetyl-1H-pyrimidine-2,4-dione
SMILESCC(=O)c1c[nH]c(=O)n(C(C)=O)c1=O
InChIInChI=1S/C8H8N2O4/c1-4(11)6-3-9-8(14)10(5(2)12)7(6)13/h3H,1-2H3,(H,9,14)
InChIKeyJLNAIPDNJJGUHT-UHFFFAOYSA-N
MW196.16 g/mol
LogP-0.60
Rot. Bonds1

About 3,5-diacetyl-1H-pyrimidine-2,4-dione

3,5-diacetyl-1H-pyrimidine-2,4-dione (PubChem CID 174535800) has the molecular formula C8H8N2O4 and a molecular weight of 196.16 g/mol. Its IUPAC name is 3,5-diacetyl-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name3,5-diacetyl-1H-pyrimidine-2,4-dione
PubChem CID174535800
Molecular FormulaC8H8N2O4
Molecular Weight196.16 g/mol
Exact Mass196.05
IUPAC Name3,5-diacetyl-1H-pyrimidine-2,4-dione
SMILESCC(=O)c1c[nH]c(=O)n(C(C)=O)c1=O
InChIInChI=1S/C8H8N2O4/c1-4(11)6-3-9-8(14)10(5(2)12)7(6)13/h3H,1-2H3,(H,9,14)
InChIKeyJLNAIPDNJJGUHT-UHFFFAOYSA-N
XLogP-0.60
TPSA89.00 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.16
LogP ≤ 5-0.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3,5-diacetyl-1H-pyrimidine-2,4-dione?
The IUPAC name of 3,5-diacetyl-1H-pyrimidine-2,4-dione (CID 174535800) is 3,5-diacetyl-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 3,5-diacetyl-1H-pyrimidine-2,4-dione?
The canonical SMILES for 3,5-diacetyl-1H-pyrimidine-2,4-dione is CC(=O)c1c[nH]c(=O)n(C(C)=O)c1=O.
What is the InChIKey of 3,5-diacetyl-1H-pyrimidine-2,4-dione?
The InChIKey is JLNAIPDNJJGUHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N2O4/c1-4(11)6-3-9-8(14)10(5(2)12)7(6)13/h3H,1-2H3,(H,9,14).
What are the key properties of 3,5-diacetyl-1H-pyrimidine-2,4-dione?
3,5-diacetyl-1H-pyrimidine-2,4-dione has a molecular weight of 196.16 g/mol, XLogP of -0.60, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-diacetyl-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 174535800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).