1-[4-(5,6-dimethylpyrimidin-4-yl)piperazin-1-yl]-3-(2-ethylimidazol-1-yl)propan-1-one

C18H26N6O — CID 118766194

IUPAC1-[4-(5,6-dimethylpyrimidin-4-yl)piperazin-1-yl]-3-(2-ethylimidazol-1-yl)propan-1-one
SMILESCCc1nccn1CCC(=O)N1CCN(c2ncnc(C)c2C)CC1
InChIInChI=1S/C18H26N6O/c1-4-16-19-6-8-22(16)7-5-17(25)23-9-11-24(12-10-23)18-14(2)15(3)20-13-21-18/h6,8,13H,4-5,7,9-12H2,1-3H3
InChIKeyITOQQSMTTKHREW-UHFFFAOYSA-N
MW342.45 g/mol
LogP1.59
Rot. Bonds5

About 1-[4-(5,6-dimethylpyrimidin-4-yl)piperazin-1-yl]-3-(2-ethylimidazol-1-yl)propan-1-one

1-[4-(5,6-dimethylpyrimidin-4-yl)piperazin-1-yl]-3-(2-ethylimidazol-1-yl)propan-1-one (PubChem CID 118766194) has the molecular formula C18H26N6O and a molecular weight of 342.45 g/mol. Its IUPAC name is 1-[4-(5,6-dimethylpyrimidin-4-yl)piperazin-1-yl]-3-(2-ethylimidazol-1-yl)propan-1-one.

Molecular Properties

Compound Name1-[4-(5,6-dimethylpyrimidin-4-yl)piperazin-1-yl]-3-(2-ethylimidazol-1-yl)propan-1-one
PubChem CID118766194
Molecular FormulaC18H26N6O
Molecular Weight342.45 g/mol
Exact Mass342.22
IUPAC Name1-[4-(5,6-dimethylpyrimidin-4-yl)piperazin-1-yl]-3-(2-ethylimidazol-1-yl)propan-1-one
SMILESCCc1nccn1CCC(=O)N1CCN(c2ncnc(C)c2C)CC1
InChIInChI=1S/C18H26N6O/c1-4-16-19-6-8-22(16)7-5-17(25)23-9-11-24(12-10-23)18-14(2)15(3)20-13-21-18/h6,8,13H,4-5,7,9-12H2,1-3H3
InChIKeyITOQQSMTTKHREW-UHFFFAOYSA-N
XLogP1.59
TPSA67.15 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.45
LogP ≤ 51.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 1-[4-(5,6-dimethylpyrimidin-4-yl)piperazin-1-yl]-3-(2-ethylimidazol-1-yl)propan-1-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 1-[4-(5,6-dimethylpyrimidin-4-yl)piperazin-1-yl]-3-(2-ethylimidazol-1-yl)propan-1-one?
The IUPAC name of 1-[4-(5,6-dimethylpyrimidin-4-yl)piperazin-1-yl]-3-(2-ethylimidazol-1-yl)propan-1-one (CID 118766194) is 1-[4-(5,6-dimethylpyrimidin-4-yl)piperazin-1-yl]-3-(2-ethylimidazol-1-yl)propan-1-one.
What is the SMILES notation for 1-[4-(5,6-dimethylpyrimidin-4-yl)piperazin-1-yl]-3-(2-ethylimidazol-1-yl)propan-1-one?
The canonical SMILES for 1-[4-(5,6-dimethylpyrimidin-4-yl)piperazin-1-yl]-3-(2-ethylimidazol-1-yl)propan-1-one is CCc1nccn1CCC(=O)N1CCN(c2ncnc(C)c2C)CC1.
What is the InChIKey of 1-[4-(5,6-dimethylpyrimidin-4-yl)piperazin-1-yl]-3-(2-ethylimidazol-1-yl)propan-1-one?
The InChIKey is ITOQQSMTTKHREW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N6O/c1-4-16-19-6-8-22(16)7-5-17(25)23-9-11-24(12-10-23)18-14(2)15(3)20-13-21-18/h6,8,13H,4-5,7,9-12H2,1-3H3.
What are the key properties of 1-[4-(5,6-dimethylpyrimidin-4-yl)piperazin-1-yl]-3-(2-ethylimidazol-1-yl)propan-1-one?
1-[4-(5,6-dimethylpyrimidin-4-yl)piperazin-1-yl]-3-(2-ethylimidazol-1-yl)propan-1-one has a molecular weight of 342.45 g/mol, XLogP of 1.59, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(5,6-dimethylpyrimidin-4-yl)piperazin-1-yl]-3-(2-ethylimidazol-1-yl)propan-1-one is sourced from PubChem (CID 118766194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).