ethane;1-methyl-4-[(4,5,6-trimethylpyrimidin-2-yl)methyl]piperazin-2-one

C15H26N4O — CID 145364325

IUPACethane;1-methyl-4-[(4,5,6-trimethylpyrimidin-2-yl)methyl]piperazin-2-one
SMILESCC.Cc1nc(CN2CCN(C)C(=O)C2)nc(C)c1C
InChIInChI=1S/C13H20N4O.C2H6/c1-9-10(2)14-12(15-11(9)3)7-17-6-5-16(4)13(18)8-17;1-2/h5-8H2,1-4H3;1-2H3
InChIKeyHINJKXKMTKQJAV-UHFFFAOYSA-N
MW278.40 g/mol
LogP1.70
Rot. Bonds2

About ethane;1-methyl-4-[(4,5,6-trimethylpyrimidin-2-yl)methyl]piperazin-2-one

ethane;1-methyl-4-[(4,5,6-trimethylpyrimidin-2-yl)methyl]piperazin-2-one (PubChem CID 145364325) has the molecular formula C15H26N4O and a molecular weight of 278.40 g/mol. Its IUPAC name is ethane;1-methyl-4-[(4,5,6-trimethylpyrimidin-2-yl)methyl]piperazin-2-one.

Molecular Properties

Compound Nameethane;1-methyl-4-[(4,5,6-trimethylpyrimidin-2-yl)methyl]piperazin-2-one
PubChem CID145364325
Molecular FormulaC15H26N4O
Molecular Weight278.40 g/mol
Exact Mass278.21
IUPAC Nameethane;1-methyl-4-[(4,5,6-trimethylpyrimidin-2-yl)methyl]piperazin-2-one
SMILESCC.Cc1nc(CN2CCN(C)C(=O)C2)nc(C)c1C
InChIInChI=1S/C13H20N4O.C2H6/c1-9-10(2)14-12(15-11(9)3)7-17-6-5-16(4)13(18)8-17;1-2/h5-8H2,1-4H3;1-2H3
InChIKeyHINJKXKMTKQJAV-UHFFFAOYSA-N
XLogP1.70
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 51.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze ethane;1-methyl-4-[(4,5,6-trimethylpyrimidin-2-yl)methyl]piperazin-2-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;1-methyl-4-[(4,5,6-trimethylpyrimidin-2-yl)methyl]piperazin-2-one?
The IUPAC name of ethane;1-methyl-4-[(4,5,6-trimethylpyrimidin-2-yl)methyl]piperazin-2-one (CID 145364325) is ethane;1-methyl-4-[(4,5,6-trimethylpyrimidin-2-yl)methyl]piperazin-2-one.
What is the SMILES notation for ethane;1-methyl-4-[(4,5,6-trimethylpyrimidin-2-yl)methyl]piperazin-2-one?
The canonical SMILES for ethane;1-methyl-4-[(4,5,6-trimethylpyrimidin-2-yl)methyl]piperazin-2-one is CC.Cc1nc(CN2CCN(C)C(=O)C2)nc(C)c1C.
What is the InChIKey of ethane;1-methyl-4-[(4,5,6-trimethylpyrimidin-2-yl)methyl]piperazin-2-one?
The InChIKey is HINJKXKMTKQJAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O.C2H6/c1-9-10(2)14-12(15-11(9)3)7-17-6-5-16(4)13(18)8-17;1-2/h5-8H2,1-4H3;1-2H3.
What are the key properties of ethane;1-methyl-4-[(4,5,6-trimethylpyrimidin-2-yl)methyl]piperazin-2-one?
ethane;1-methyl-4-[(4,5,6-trimethylpyrimidin-2-yl)methyl]piperazin-2-one has a molecular weight of 278.40 g/mol, XLogP of 1.70, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-methyl-4-[(4,5,6-trimethylpyrimidin-2-yl)methyl]piperazin-2-one is sourced from PubChem (CID 145364325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).