2-[(3R)-3-aminopiperidin-1-yl]-5-(2-trimethylsilylethynyl)-1H-pyrimidin-6-one

C14H22N4OSi — CID 141111972

IUPAC2-[(3R)-3-aminopiperidin-1-yl]-5-(2-trimethylsilylethynyl)-1H-pyrimidin-6-one
SMILESC[Si](C)(C)C#Cc1cnc(N2CCC[C@@H](N)C2)[nH]c1=O
InChIInChI=1S/C14H22N4OSi/c1-20(2,3)8-6-11-9-16-14(17-13(11)19)18-7-4-5-12(15)10-18/h9,12H,4-5,7,10,15H2,1-3H3,(H,16,17,19)/t12-/m1/s1
InChIKeyZEAXREMZKQJMOE-GFCCVEGCSA-N
MW290.44 g/mol
LogP0.93
Rot. Bonds1

About 2-[(3R)-3-aminopiperidin-1-yl]-5-(2-trimethylsilylethynyl)-1H-pyrimidin-6-one

2-[(3R)-3-aminopiperidin-1-yl]-5-(2-trimethylsilylethynyl)-1H-pyrimidin-6-one (PubChem CID 141111972) has the molecular formula C14H22N4OSi and a molecular weight of 290.44 g/mol. Its IUPAC name is 2-[(3R)-3-aminopiperidin-1-yl]-5-(2-trimethylsilylethynyl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-[(3R)-3-aminopiperidin-1-yl]-5-(2-trimethylsilylethynyl)-1H-pyrimidin-6-one
PubChem CID141111972
Molecular FormulaC14H22N4OSi
Molecular Weight290.44 g/mol
Exact Mass290.16
IUPAC Name2-[(3R)-3-aminopiperidin-1-yl]-5-(2-trimethylsilylethynyl)-1H-pyrimidin-6-one
SMILESC[Si](C)(C)C#Cc1cnc(N2CCC[C@@H](N)C2)[nH]c1=O
InChIInChI=1S/C14H22N4OSi/c1-20(2,3)8-6-11-9-16-14(17-13(11)19)18-7-4-5-12(15)10-18/h9,12H,4-5,7,10,15H2,1-3H3,(H,16,17,19)/t12-/m1/s1
InChIKeyZEAXREMZKQJMOE-GFCCVEGCSA-N
XLogP0.93
TPSA75.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.44
LogP ≤ 50.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[(3R)-3-aminopiperidin-1-yl]-5-(2-trimethylsilylethynyl)-1H-pyrimidin-6-one?
The IUPAC name of 2-[(3R)-3-aminopiperidin-1-yl]-5-(2-trimethylsilylethynyl)-1H-pyrimidin-6-one (CID 141111972) is 2-[(3R)-3-aminopiperidin-1-yl]-5-(2-trimethylsilylethynyl)-1H-pyrimidin-6-one.
What is the SMILES notation for 2-[(3R)-3-aminopiperidin-1-yl]-5-(2-trimethylsilylethynyl)-1H-pyrimidin-6-one?
The canonical SMILES for 2-[(3R)-3-aminopiperidin-1-yl]-5-(2-trimethylsilylethynyl)-1H-pyrimidin-6-one is C[Si](C)(C)C#Cc1cnc(N2CCC[C@@H](N)C2)[nH]c1=O.
What is the InChIKey of 2-[(3R)-3-aminopiperidin-1-yl]-5-(2-trimethylsilylethynyl)-1H-pyrimidin-6-one?
The InChIKey is ZEAXREMZKQJMOE-GFCCVEGCSA-N. The full InChI is InChI=1S/C14H22N4OSi/c1-20(2,3)8-6-11-9-16-14(17-13(11)19)18-7-4-5-12(15)10-18/h9,12H,4-5,7,10,15H2,1-3H3,(H,16,17,19)/t12-/m1/s1.
What are the key properties of 2-[(3R)-3-aminopiperidin-1-yl]-5-(2-trimethylsilylethynyl)-1H-pyrimidin-6-one?
2-[(3R)-3-aminopiperidin-1-yl]-5-(2-trimethylsilylethynyl)-1H-pyrimidin-6-one has a molecular weight of 290.44 g/mol, XLogP of 0.93, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3R)-3-aminopiperidin-1-yl]-5-(2-trimethylsilylethynyl)-1H-pyrimidin-6-one is sourced from PubChem (CID 141111972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).