4-[7-(2-trimethylsilylethoxymethylamino)pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexan-1-one

C18H28N4O2Si — CID 66586731

IUPAC4-[7-(2-trimethylsilylethoxymethylamino)pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexan-1-one
SMILESC[Si](C)(C)CCOCNc1cc(C2CCC(=O)CC2)nc2ccnn12
InChIInChI=1S/C18H28N4O2Si/c1-25(2,3)11-10-24-13-19-18-12-16(14-4-6-15(23)7-5-14)21-17-8-9-20-22(17)18/h8-9,12,14,19H,4-7,10-11,13H2,1-3H3
InChIKeyAWTSTXIJOWFSMZ-UHFFFAOYSA-N
MW360.53 g/mol
LogP3.68
Rot. Bonds7

About 4-[7-(2-trimethylsilylethoxymethylamino)pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexan-1-one

4-[7-(2-trimethylsilylethoxymethylamino)pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexan-1-one (PubChem CID 66586731) has the molecular formula C18H28N4O2Si and a molecular weight of 360.53 g/mol. Its IUPAC name is 4-[7-(2-trimethylsilylethoxymethylamino)pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexan-1-one.

Molecular Properties

Compound Name4-[7-(2-trimethylsilylethoxymethylamino)pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexan-1-one
PubChem CID66586731
Molecular FormulaC18H28N4O2Si
Molecular Weight360.53 g/mol
Exact Mass360.20
IUPAC Name4-[7-(2-trimethylsilylethoxymethylamino)pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexan-1-one
SMILESC[Si](C)(C)CCOCNc1cc(C2CCC(=O)CC2)nc2ccnn12
InChIInChI=1S/C18H28N4O2Si/c1-25(2,3)11-10-24-13-19-18-12-16(14-4-6-15(23)7-5-14)21-17-8-9-20-22(17)18/h8-9,12,14,19H,4-7,10-11,13H2,1-3H3
InChIKeyAWTSTXIJOWFSMZ-UHFFFAOYSA-N
XLogP3.68
TPSA68.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.53
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[7-(2-trimethylsilylethoxymethylamino)pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexan-1-one?
The IUPAC name of 4-[7-(2-trimethylsilylethoxymethylamino)pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexan-1-one (CID 66586731) is 4-[7-(2-trimethylsilylethoxymethylamino)pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexan-1-one.
What is the SMILES notation for 4-[7-(2-trimethylsilylethoxymethylamino)pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexan-1-one?
The canonical SMILES for 4-[7-(2-trimethylsilylethoxymethylamino)pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexan-1-one is C[Si](C)(C)CCOCNc1cc(C2CCC(=O)CC2)nc2ccnn12.
What is the InChIKey of 4-[7-(2-trimethylsilylethoxymethylamino)pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexan-1-one?
The InChIKey is AWTSTXIJOWFSMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N4O2Si/c1-25(2,3)11-10-24-13-19-18-12-16(14-4-6-15(23)7-5-14)21-17-8-9-20-22(17)18/h8-9,12,14,19H,4-7,10-11,13H2,1-3H3.
What are the key properties of 4-[7-(2-trimethylsilylethoxymethylamino)pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexan-1-one?
4-[7-(2-trimethylsilylethoxymethylamino)pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexan-1-one has a molecular weight of 360.53 g/mol, XLogP of 3.68, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[7-(2-trimethylsilylethoxymethylamino)pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexan-1-one is sourced from PubChem (CID 66586731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).