5-ethyl-3,6-dimethyl-1H-pyrimidine-2,4-dione

C8H12N2O2 — CID 3021669

IUPAC5-ethyl-3,6-dimethyl-1H-pyrimidine-2,4-dione
SMILESCCc1c(C)[nH]c(=O)n(C)c1=O
InChIInChI=1S/C8H12N2O2/c1-4-6-5(2)9-8(12)10(3)7(6)11/h4H2,1-3H3,(H,9,12)
InChIKeyOOKYGLJIVQNEGX-UHFFFAOYSA-N
MW168.20 g/mol
LogP-0.06
Rot. Bonds1

About 5-ethyl-3,6-dimethyl-1H-pyrimidine-2,4-dione

5-ethyl-3,6-dimethyl-1H-pyrimidine-2,4-dione (PubChem CID 3021669) has the molecular formula C8H12N2O2 and a molecular weight of 168.20 g/mol. Its IUPAC name is 5-ethyl-3,6-dimethyl-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-ethyl-3,6-dimethyl-1H-pyrimidine-2,4-dione
PubChem CID3021669
Molecular FormulaC8H12N2O2
Molecular Weight168.20 g/mol
Exact Mass168.09
IUPAC Name5-ethyl-3,6-dimethyl-1H-pyrimidine-2,4-dione
SMILESCCc1c(C)[nH]c(=O)n(C)c1=O
InChIInChI=1S/C8H12N2O2/c1-4-6-5(2)9-8(12)10(3)7(6)11/h4H2,1-3H3,(H,9,12)
InChIKeyOOKYGLJIVQNEGX-UHFFFAOYSA-N
XLogP-0.06
TPSA54.86 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.20
LogP ≤ 5-0.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 5-ethyl-3,6-dimethyl-1H-pyrimidine-2,4-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-3,6-dimethyl-1H-pyrimidine-2,4-dione?
The IUPAC name of 5-ethyl-3,6-dimethyl-1H-pyrimidine-2,4-dione (CID 3021669) is 5-ethyl-3,6-dimethyl-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 5-ethyl-3,6-dimethyl-1H-pyrimidine-2,4-dione?
The canonical SMILES for 5-ethyl-3,6-dimethyl-1H-pyrimidine-2,4-dione is CCc1c(C)[nH]c(=O)n(C)c1=O.
What is the InChIKey of 5-ethyl-3,6-dimethyl-1H-pyrimidine-2,4-dione?
The InChIKey is OOKYGLJIVQNEGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O2/c1-4-6-5(2)9-8(12)10(3)7(6)11/h4H2,1-3H3,(H,9,12).
What are the key properties of 5-ethyl-3,6-dimethyl-1H-pyrimidine-2,4-dione?
5-ethyl-3,6-dimethyl-1H-pyrimidine-2,4-dione has a molecular weight of 168.20 g/mol, XLogP of -0.06, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-3,6-dimethyl-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 3021669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).