5-acetyl-3-ethyl-1H-pyrimidine-2,4-dione

C8H10N2O3 — CID 80643763

IUPAC5-acetyl-3-ethyl-1H-pyrimidine-2,4-dione
SMILESCCn1c(=O)[nH]cc(C(C)=O)c1=O
InChIInChI=1S/C8H10N2O3/c1-3-10-7(12)6(5(2)11)4-9-8(10)13/h4H,3H2,1-2H3,(H,9,13)
InChIKeyAUDQZDOTLYSLDV-UHFFFAOYSA-N
MW182.18 g/mol
LogP-0.24
Rot. Bonds2

About 5-acetyl-3-ethyl-1H-pyrimidine-2,4-dione

5-acetyl-3-ethyl-1H-pyrimidine-2,4-dione (PubChem CID 80643763) has the molecular formula C8H10N2O3 and a molecular weight of 182.18 g/mol. Its IUPAC name is 5-acetyl-3-ethyl-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-acetyl-3-ethyl-1H-pyrimidine-2,4-dione
PubChem CID80643763
Molecular FormulaC8H10N2O3
Molecular Weight182.18 g/mol
Exact Mass182.07
IUPAC Name5-acetyl-3-ethyl-1H-pyrimidine-2,4-dione
SMILESCCn1c(=O)[nH]cc(C(C)=O)c1=O
InChIInChI=1S/C8H10N2O3/c1-3-10-7(12)6(5(2)11)4-9-8(10)13/h4H,3H2,1-2H3,(H,9,13)
InChIKeyAUDQZDOTLYSLDV-UHFFFAOYSA-N
XLogP-0.24
TPSA71.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.18
LogP ≤ 5-0.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-acetyl-3-ethyl-1H-pyrimidine-2,4-dione?
The IUPAC name of 5-acetyl-3-ethyl-1H-pyrimidine-2,4-dione (CID 80643763) is 5-acetyl-3-ethyl-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 5-acetyl-3-ethyl-1H-pyrimidine-2,4-dione?
The canonical SMILES for 5-acetyl-3-ethyl-1H-pyrimidine-2,4-dione is CCn1c(=O)[nH]cc(C(C)=O)c1=O.
What is the InChIKey of 5-acetyl-3-ethyl-1H-pyrimidine-2,4-dione?
The InChIKey is AUDQZDOTLYSLDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2O3/c1-3-10-7(12)6(5(2)11)4-9-8(10)13/h4H,3H2,1-2H3,(H,9,13).
What are the key properties of 5-acetyl-3-ethyl-1H-pyrimidine-2,4-dione?
5-acetyl-3-ethyl-1H-pyrimidine-2,4-dione has a molecular weight of 182.18 g/mol, XLogP of -0.24, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-acetyl-3-ethyl-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 80643763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).