8-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2-methylsulfanylpyrido[2,3-d]pyrimidin-7-one

C16H25N3O2SSi — CID 174023673

IUPAC8-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2-methylsulfanylpyrido[2,3-d]pyrimidin-7-one
SMILESCSc1ncc2ccc(=O)n(CCO[Si](C)(C)C(C)(C)C)c2n1
InChIInChI=1S/C16H25N3O2SSi/c1-16(2,3)23(5,6)21-10-9-19-13(20)8-7-12-11-17-15(22-4)18-14(12)19/h7-8,11H,9-10H2,1-6H3
InChIKeyYIOCKKVZYJQPQZ-UHFFFAOYSA-N
MW351.55 g/mol
LogP3.54
Rot. Bonds5

About 8-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2-methylsulfanylpyrido[2,3-d]pyrimidin-7-one

8-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2-methylsulfanylpyrido[2,3-d]pyrimidin-7-one (PubChem CID 174023673) has the molecular formula C16H25N3O2SSi and a molecular weight of 351.55 g/mol. Its IUPAC name is 8-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2-methylsulfanylpyrido[2,3-d]pyrimidin-7-one.

Molecular Properties

Compound Name8-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2-methylsulfanylpyrido[2,3-d]pyrimidin-7-one
PubChem CID174023673
Molecular FormulaC16H25N3O2SSi
Molecular Weight351.55 g/mol
Exact Mass351.14
IUPAC Name8-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2-methylsulfanylpyrido[2,3-d]pyrimidin-7-one
SMILESCSc1ncc2ccc(=O)n(CCO[Si](C)(C)C(C)(C)C)c2n1
InChIInChI=1S/C16H25N3O2SSi/c1-16(2,3)23(5,6)21-10-9-19-13(20)8-7-12-11-17-15(22-4)18-14(12)19/h7-8,11H,9-10H2,1-6H3
InChIKeyYIOCKKVZYJQPQZ-UHFFFAOYSA-N
XLogP3.54
TPSA57.01 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.55
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 8-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2-methylsulfanylpyrido[2,3-d]pyrimidin-7-one?
The IUPAC name of 8-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2-methylsulfanylpyrido[2,3-d]pyrimidin-7-one (CID 174023673) is 8-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2-methylsulfanylpyrido[2,3-d]pyrimidin-7-one.
What is the SMILES notation for 8-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2-methylsulfanylpyrido[2,3-d]pyrimidin-7-one?
The canonical SMILES for 8-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2-methylsulfanylpyrido[2,3-d]pyrimidin-7-one is CSc1ncc2ccc(=O)n(CCO[Si](C)(C)C(C)(C)C)c2n1.
What is the InChIKey of 8-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2-methylsulfanylpyrido[2,3-d]pyrimidin-7-one?
The InChIKey is YIOCKKVZYJQPQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O2SSi/c1-16(2,3)23(5,6)21-10-9-19-13(20)8-7-12-11-17-15(22-4)18-14(12)19/h7-8,11H,9-10H2,1-6H3.
What are the key properties of 8-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2-methylsulfanylpyrido[2,3-d]pyrimidin-7-one?
8-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2-methylsulfanylpyrido[2,3-d]pyrimidin-7-one has a molecular weight of 351.55 g/mol, XLogP of 3.54, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2-methylsulfanylpyrido[2,3-d]pyrimidin-7-one is sourced from PubChem (CID 174023673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).