2-[4,5-dimethyl-1-(2-methylpropyl)imidazol-2-yl]sulfanyl-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone

C19H28N6OS — CID 40661450

IUPAC2-[4,5-dimethyl-1-(2-methylpropyl)imidazol-2-yl]sulfanyl-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone
SMILESCc1nc(SCC(=O)N2CCN(c3ncccn3)CC2)n(CC(C)C)c1C
InChIInChI=1S/C19H28N6OS/c1-14(2)12-25-16(4)15(3)22-19(25)27-13-17(26)23-8-10-24(11-9-23)18-20-6-5-7-21-18/h5-7,14H,8-13H2,1-4H3
InChIKeyKXTUYBCBPYZQMV-UHFFFAOYSA-N
MW388.54 g/mol
LogP2.39
Rot. Bonds6

About 2-[4,5-dimethyl-1-(2-methylpropyl)imidazol-2-yl]sulfanyl-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone

2-[4,5-dimethyl-1-(2-methylpropyl)imidazol-2-yl]sulfanyl-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone (PubChem CID 40661450) has the molecular formula C19H28N6OS and a molecular weight of 388.54 g/mol. Its IUPAC name is 2-[4,5-dimethyl-1-(2-methylpropyl)imidazol-2-yl]sulfanyl-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone.

Molecular Properties

Compound Name2-[4,5-dimethyl-1-(2-methylpropyl)imidazol-2-yl]sulfanyl-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone
PubChem CID40661450
Molecular FormulaC19H28N6OS
Molecular Weight388.54 g/mol
Exact Mass388.20
IUPAC Name2-[4,5-dimethyl-1-(2-methylpropyl)imidazol-2-yl]sulfanyl-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone
SMILESCc1nc(SCC(=O)N2CCN(c3ncccn3)CC2)n(CC(C)C)c1C
InChIInChI=1S/C19H28N6OS/c1-14(2)12-25-16(4)15(3)22-19(25)27-13-17(26)23-8-10-24(11-9-23)18-20-6-5-7-21-18/h5-7,14H,8-13H2,1-4H3
InChIKeyKXTUYBCBPYZQMV-UHFFFAOYSA-N
XLogP2.39
TPSA67.15 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.54
LogP ≤ 52.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 2-[4,5-dimethyl-1-(2-methylpropyl)imidazol-2-yl]sulfanyl-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone with MolForge

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

Launch Full Analysis

Related Compounds

2-(1-methylimidazol-2-yl)sulfanyl-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone
CID 9200850
1-[4,5-dimethyl-1-(2-methylpropyl)imidazol-2-yl]sulfanyl-3,3-dimethylbutan-2-one
CID 78802553
ethyl 1-[2-[4,5-dimethyl-1-(2-methylpropyl)imidazol-2-yl]sulfanylacetyl]piperidine-3-carboxylate
CID 60542658
2-[4,5-dimethyl-1-(2-methylpropyl)imidazol-2-yl]sulfanyl-1-[(2S)-2-thiophen-2-ylpyrrolidin-1-yl]ethanone
CID 94180298
2-[(4-cyclopropyl-5-piperidin-1-yl-1,2,4-triazol-3-yl)sulfanyl]-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone
CID 16586264
2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone
CID 17446060
(2S)-2-methylsulfanyl-N-[3-oxo-3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]propanamide
CID 95329290
1-(4-pyrimidin-2-ylpiperazin-1-yl)-3-(1,3,5-trimethylpyrazol-4-yl)propan-1-one
CID 36873080
2-(2-hydroxyethylsulfanyl)-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone
CID 29022062
6-methyl-3-(2-methylpropyl)-2-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanyl-5H-pyrrolo[3,2-d]pyrimidin-4-one
CID 51364065
N-[1-(4-chlorophenyl)ethyl]-2-[4,5-dimethyl-1-(2-methylpropyl)imidazol-2-yl]sulfanyl-N-methylacetamide
CID 112842751
2-methyl-3-(methylamino)-N-[3-oxo-3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]propanamide;dihydrochloride
CID 119873276

Frequently Asked Questions

What is the IUPAC name of 2-[4,5-dimethyl-1-(2-methylpropyl)imidazol-2-yl]sulfanyl-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone?
The IUPAC name of 2-[4,5-dimethyl-1-(2-methylpropyl)imidazol-2-yl]sulfanyl-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone (CID 40661450) is 2-[4,5-dimethyl-1-(2-methylpropyl)imidazol-2-yl]sulfanyl-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone.
What is the SMILES notation for 2-[4,5-dimethyl-1-(2-methylpropyl)imidazol-2-yl]sulfanyl-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone?
The canonical SMILES for 2-[4,5-dimethyl-1-(2-methylpropyl)imidazol-2-yl]sulfanyl-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone is Cc1nc(SCC(=O)N2CCN(c3ncccn3)CC2)n(CC(C)C)c1C.
What is the InChIKey of 2-[4,5-dimethyl-1-(2-methylpropyl)imidazol-2-yl]sulfanyl-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone?
The InChIKey is KXTUYBCBPYZQMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N6OS/c1-14(2)12-25-16(4)15(3)22-19(25)27-13-17(26)23-8-10-24(11-9-23)18-20-6-5-7-21-18/h5-7,14H,8-13H2,1-4H3.
What are the key properties of 2-[4,5-dimethyl-1-(2-methylpropyl)imidazol-2-yl]sulfanyl-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone?
2-[4,5-dimethyl-1-(2-methylpropyl)imidazol-2-yl]sulfanyl-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone has a molecular weight of 388.54 g/mol, XLogP of 2.39, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4,5-dimethyl-1-(2-methylpropyl)imidazol-2-yl]sulfanyl-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone is sourced from PubChem (CID 40661450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).