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

C17H24N6O — CID 70703751

IUPAC1-[4-[6-(4,5-dimethylimidazol-1-yl)-2-methylpyrimidin-4-yl]piperazin-1-yl]propan-1-one
SMILESCCC(=O)N1CCN(c2cc(-n3cnc(C)c3C)nc(C)n2)CC1
InChIInChI=1S/C17H24N6O/c1-5-17(24)22-8-6-21(7-9-22)15-10-16(20-14(4)19-15)23-11-18-12(2)13(23)3/h10-11H,5-9H2,1-4H3
InChIKeyIVODOBITDBWEDT-UHFFFAOYSA-N
MW328.42 g/mol
LogP1.65
Rot. Bonds3

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

1-[4-[6-(4,5-dimethylimidazol-1-yl)-2-methylpyrimidin-4-yl]piperazin-1-yl]propan-1-one (PubChem CID 70703751) has the molecular formula C17H24N6O and a molecular weight of 328.42 g/mol. Its IUPAC name is 1-[4-[6-(4,5-dimethylimidazol-1-yl)-2-methylpyrimidin-4-yl]piperazin-1-yl]propan-1-one.

Molecular Properties

Compound Name1-[4-[6-(4,5-dimethylimidazol-1-yl)-2-methylpyrimidin-4-yl]piperazin-1-yl]propan-1-one
PubChem CID70703751
Molecular FormulaC17H24N6O
Molecular Weight328.42 g/mol
Exact Mass328.20
IUPAC Name1-[4-[6-(4,5-dimethylimidazol-1-yl)-2-methylpyrimidin-4-yl]piperazin-1-yl]propan-1-one
SMILESCCC(=O)N1CCN(c2cc(-n3cnc(C)c3C)nc(C)n2)CC1
InChIInChI=1S/C17H24N6O/c1-5-17(24)22-8-6-21(7-9-22)15-10-16(20-14(4)19-15)23-11-18-12(2)13(23)3/h10-11H,5-9H2,1-4H3
InChIKeyIVODOBITDBWEDT-UHFFFAOYSA-N
XLogP1.65
TPSA67.15 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.42
LogP ≤ 51.65
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]propan-1-one?
The IUPAC name of 1-[4-[6-(4,5-dimethylimidazol-1-yl)-2-methylpyrimidin-4-yl]piperazin-1-yl]propan-1-one (CID 70703751) is 1-[4-[6-(4,5-dimethylimidazol-1-yl)-2-methylpyrimidin-4-yl]piperazin-1-yl]propan-1-one.
What is the SMILES notation for 1-[4-[6-(4,5-dimethylimidazol-1-yl)-2-methylpyrimidin-4-yl]piperazin-1-yl]propan-1-one?
The canonical SMILES for 1-[4-[6-(4,5-dimethylimidazol-1-yl)-2-methylpyrimidin-4-yl]piperazin-1-yl]propan-1-one is CCC(=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]propan-1-one?
The InChIKey is IVODOBITDBWEDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N6O/c1-5-17(24)22-8-6-21(7-9-22)15-10-16(20-14(4)19-15)23-11-18-12(2)13(23)3/h10-11H,5-9H2,1-4H3.
What are the key properties of 1-[4-[6-(4,5-dimethylimidazol-1-yl)-2-methylpyrimidin-4-yl]piperazin-1-yl]propan-1-one?
1-[4-[6-(4,5-dimethylimidazol-1-yl)-2-methylpyrimidin-4-yl]piperazin-1-yl]propan-1-one has a molecular weight of 328.42 g/mol, XLogP of 1.65, 3 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]propan-1-one is sourced from PubChem (CID 70703751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).