trimethyl-[2-(1-methyl-4-morpholin-4-ylpyrazolo[5,4-d]pyrimidin-6-yl)ethynyl]silane

C15H21N5OSi — CID 174037487

IUPACtrimethyl-[2-(1-methyl-4-morpholin-4-ylpyrazolo[5,4-d]pyrimidin-6-yl)ethynyl]silane
SMILESCn1ncc2c(N3CCOCC3)nc(C#C[Si](C)(C)C)nc21
InChIInChI=1S/C15H21N5OSi/c1-19-14-12(11-16-19)15(20-6-8-21-9-7-20)18-13(17-14)5-10-22(2,3)4/h11H,6-9H2,1-4H3
InChIKeyOPQKCNHLUYQGIT-UHFFFAOYSA-N
MW315.45 g/mol
LogP1.43
Rot. Bonds1

About trimethyl-[2-(1-methyl-4-morpholin-4-ylpyrazolo[5,4-d]pyrimidin-6-yl)ethynyl]silane

trimethyl-[2-(1-methyl-4-morpholin-4-ylpyrazolo[5,4-d]pyrimidin-6-yl)ethynyl]silane (PubChem CID 174037487) has the molecular formula C15H21N5OSi and a molecular weight of 315.45 g/mol. Its IUPAC name is trimethyl-[2-(1-methyl-4-morpholin-4-ylpyrazolo[5,4-d]pyrimidin-6-yl)ethynyl]silane.

Molecular Properties

Compound Nametrimethyl-[2-(1-methyl-4-morpholin-4-ylpyrazolo[5,4-d]pyrimidin-6-yl)ethynyl]silane
PubChem CID174037487
Molecular FormulaC15H21N5OSi
Molecular Weight315.45 g/mol
Exact Mass315.15
IUPAC Nametrimethyl-[2-(1-methyl-4-morpholin-4-ylpyrazolo[5,4-d]pyrimidin-6-yl)ethynyl]silane
SMILESCn1ncc2c(N3CCOCC3)nc(C#C[Si](C)(C)C)nc21
InChIInChI=1S/C15H21N5OSi/c1-19-14-12(11-16-19)15(20-6-8-21-9-7-20)18-13(17-14)5-10-22(2,3)4/h11H,6-9H2,1-4H3
InChIKeyOPQKCNHLUYQGIT-UHFFFAOYSA-N
XLogP1.43
TPSA56.07 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.45
LogP ≤ 51.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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 trimethyl-[2-(1-methyl-4-morpholin-4-ylpyrazolo[5,4-d]pyrimidin-6-yl)ethynyl]silane?
The IUPAC name of trimethyl-[2-(1-methyl-4-morpholin-4-ylpyrazolo[5,4-d]pyrimidin-6-yl)ethynyl]silane (CID 174037487) is trimethyl-[2-(1-methyl-4-morpholin-4-ylpyrazolo[5,4-d]pyrimidin-6-yl)ethynyl]silane.
What is the SMILES notation for trimethyl-[2-(1-methyl-4-morpholin-4-ylpyrazolo[5,4-d]pyrimidin-6-yl)ethynyl]silane?
The canonical SMILES for trimethyl-[2-(1-methyl-4-morpholin-4-ylpyrazolo[5,4-d]pyrimidin-6-yl)ethynyl]silane is Cn1ncc2c(N3CCOCC3)nc(C#C[Si](C)(C)C)nc21.
What is the InChIKey of trimethyl-[2-(1-methyl-4-morpholin-4-ylpyrazolo[5,4-d]pyrimidin-6-yl)ethynyl]silane?
The InChIKey is OPQKCNHLUYQGIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N5OSi/c1-19-14-12(11-16-19)15(20-6-8-21-9-7-20)18-13(17-14)5-10-22(2,3)4/h11H,6-9H2,1-4H3.
What are the key properties of trimethyl-[2-(1-methyl-4-morpholin-4-ylpyrazolo[5,4-d]pyrimidin-6-yl)ethynyl]silane?
trimethyl-[2-(1-methyl-4-morpholin-4-ylpyrazolo[5,4-d]pyrimidin-6-yl)ethynyl]silane has a molecular weight of 315.45 g/mol, XLogP of 1.43, 1 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl-[2-(1-methyl-4-morpholin-4-ylpyrazolo[5,4-d]pyrimidin-6-yl)ethynyl]silane is sourced from PubChem (CID 174037487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).