ethane;2-ethyl-3,6-dimethylpyrimidin-4-one

C10H18N2O — CID 143214941

IUPACethane;2-ethyl-3,6-dimethylpyrimidin-4-one
SMILESCC.CCc1nc(C)cc(=O)n1C
InChIInChI=1S/C8H12N2O.C2H6/c1-4-7-9-6(2)5-8(11)10(7)3;1-2/h5H,4H2,1-3H3;1-2H3
InChIKeyMDZVNMJGJAUWJP-UHFFFAOYSA-N
MW182.27 g/mol
LogP1.68
Rot. Bonds1

About ethane;2-ethyl-3,6-dimethylpyrimidin-4-one

ethane;2-ethyl-3,6-dimethylpyrimidin-4-one (PubChem CID 143214941) has the molecular formula C10H18N2O and a molecular weight of 182.27 g/mol. Its IUPAC name is ethane;2-ethyl-3,6-dimethylpyrimidin-4-one.

Molecular Properties

Compound Nameethane;2-ethyl-3,6-dimethylpyrimidin-4-one
PubChem CID143214941
Molecular FormulaC10H18N2O
Molecular Weight182.27 g/mol
Exact Mass182.14
IUPAC Nameethane;2-ethyl-3,6-dimethylpyrimidin-4-one
SMILESCC.CCc1nc(C)cc(=O)n1C
InChIInChI=1S/C8H12N2O.C2H6/c1-4-7-9-6(2)5-8(11)10(7)3;1-2/h5H,4H2,1-3H3;1-2H3
InChIKeyMDZVNMJGJAUWJP-UHFFFAOYSA-N
XLogP1.68
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.27
LogP ≤ 51.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze ethane;2-ethyl-3,6-dimethylpyrimidin-4-one 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 ethane;2-ethyl-3,6-dimethylpyrimidin-4-one?
The IUPAC name of ethane;2-ethyl-3,6-dimethylpyrimidin-4-one (CID 143214941) is ethane;2-ethyl-3,6-dimethylpyrimidin-4-one.
What is the SMILES notation for ethane;2-ethyl-3,6-dimethylpyrimidin-4-one?
The canonical SMILES for ethane;2-ethyl-3,6-dimethylpyrimidin-4-one is CC.CCc1nc(C)cc(=O)n1C.
What is the InChIKey of ethane;2-ethyl-3,6-dimethylpyrimidin-4-one?
The InChIKey is MDZVNMJGJAUWJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O.C2H6/c1-4-7-9-6(2)5-8(11)10(7)3;1-2/h5H,4H2,1-3H3;1-2H3.
What are the key properties of ethane;2-ethyl-3,6-dimethylpyrimidin-4-one?
ethane;2-ethyl-3,6-dimethylpyrimidin-4-one has a molecular weight of 182.27 g/mol, XLogP of 1.68, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-ethyl-3,6-dimethylpyrimidin-4-one is sourced from PubChem (CID 143214941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).