1-[4-[6-(4,5-dimethylimidazol-1-yl)-2-methylpyrimidin-4-yl]piperazin-1-yl]ethanone

C16H22N6O — CID 70703782

IUPAC1-[4-[6-(4,5-dimethylimidazol-1-yl)-2-methylpyrimidin-4-yl]piperazin-1-yl]ethanone
SMILESCC(=O)N1CCN(c2cc(-n3cnc(C)c3C)nc(C)n2)CC1
InChIInChI=1S/C16H22N6O/c1-11-12(2)22(10-17-11)16-9-15(18-13(3)19-16)21-7-5-20(6-8-21)14(4)23/h9-10H,5-8H2,1-4H3
InChIKeyFYAWXXFJMQXXFJ-UHFFFAOYSA-N
MW314.39 g/mol
LogP1.26
Rot. Bonds2

About 1-[4-[6-(4,5-dimethylimidazol-1-yl)-2-methylpyrimidin-4-yl]piperazin-1-yl]ethanone

1-[4-[6-(4,5-dimethylimidazol-1-yl)-2-methylpyrimidin-4-yl]piperazin-1-yl]ethanone (PubChem CID 70703782) has the molecular formula C16H22N6O and a molecular weight of 314.39 g/mol. Its IUPAC name is 1-[4-[6-(4,5-dimethylimidazol-1-yl)-2-methylpyrimidin-4-yl]piperazin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-[6-(4,5-dimethylimidazol-1-yl)-2-methylpyrimidin-4-yl]piperazin-1-yl]ethanone
PubChem CID70703782
Molecular FormulaC16H22N6O
Molecular Weight314.39 g/mol
Exact Mass314.19
IUPAC Name1-[4-[6-(4,5-dimethylimidazol-1-yl)-2-methylpyrimidin-4-yl]piperazin-1-yl]ethanone
SMILESCC(=O)N1CCN(c2cc(-n3cnc(C)c3C)nc(C)n2)CC1
InChIInChI=1S/C16H22N6O/c1-11-12(2)22(10-17-11)16-9-15(18-13(3)19-16)21-7-5-20(6-8-21)14(4)23/h9-10H,5-8H2,1-4H3
InChIKeyFYAWXXFJMQXXFJ-UHFFFAOYSA-N
XLogP1.26
TPSA67.15 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.39
LogP ≤ 51.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[6-(4,5-dimethylimidazol-1-yl)-2-methylpyrimidin-4-yl]piperazin-1-yl]ethanone?
The IUPAC name of 1-[4-[6-(4,5-dimethylimidazol-1-yl)-2-methylpyrimidin-4-yl]piperazin-1-yl]ethanone (CID 70703782) is 1-[4-[6-(4,5-dimethylimidazol-1-yl)-2-methylpyrimidin-4-yl]piperazin-1-yl]ethanone.
What is the SMILES notation for 1-[4-[6-(4,5-dimethylimidazol-1-yl)-2-methylpyrimidin-4-yl]piperazin-1-yl]ethanone?
The canonical SMILES for 1-[4-[6-(4,5-dimethylimidazol-1-yl)-2-methylpyrimidin-4-yl]piperazin-1-yl]ethanone is CC(=O)N1CCN(c2cc(-n3cnc(C)c3C)nc(C)n2)CC1.
What is the InChIKey of 1-[4-[6-(4,5-dimethylimidazol-1-yl)-2-methylpyrimidin-4-yl]piperazin-1-yl]ethanone?
The InChIKey is FYAWXXFJMQXXFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N6O/c1-11-12(2)22(10-17-11)16-9-15(18-13(3)19-16)21-7-5-20(6-8-21)14(4)23/h9-10H,5-8H2,1-4H3.
What are the key properties of 1-[4-[6-(4,5-dimethylimidazol-1-yl)-2-methylpyrimidin-4-yl]piperazin-1-yl]ethanone?
1-[4-[6-(4,5-dimethylimidazol-1-yl)-2-methylpyrimidin-4-yl]piperazin-1-yl]ethanone has a molecular weight of 314.39 g/mol, XLogP of 1.26, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[6-(4,5-dimethylimidazol-1-yl)-2-methylpyrimidin-4-yl]piperazin-1-yl]ethanone is sourced from PubChem (CID 70703782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).