6-[3-[tert-butyl(dimethyl)silyl]oxy-2,6-dimethylphenyl]-8-methyl-2-methylsulfonylpyrido[2,3-d]pyrimidin-7-one

C23H31N3O4SSi — CID 169188378

IUPAC6-[3-[tert-butyl(dimethyl)silyl]oxy-2,6-dimethylphenyl]-8-methyl-2-methylsulfonylpyrido[2,3-d]pyrimidin-7-one
SMILESCc1ccc(O[Si](C)(C)C(C)(C)C)c(C)c1-c1cc2cnc(S(C)(=O)=O)nc2n(C)c1=O
InChIInChI=1S/C23H31N3O4SSi/c1-14-10-11-18(30-32(8,9)23(3,4)5)15(2)19(14)17-12-16-13-24-22(31(7,28)29)25-20(16)26(6)21(17)27/h10-13H,1-9H3
InChIKeySATOOJKMLOCBEW-UHFFFAOYSA-N
MW473.67 g/mol
LogP4.40
Rot. Bonds4

About 6-[3-[tert-butyl(dimethyl)silyl]oxy-2,6-dimethylphenyl]-8-methyl-2-methylsulfonylpyrido[2,3-d]pyrimidin-7-one

6-[3-[tert-butyl(dimethyl)silyl]oxy-2,6-dimethylphenyl]-8-methyl-2-methylsulfonylpyrido[2,3-d]pyrimidin-7-one (PubChem CID 169188378) has the molecular formula C23H31N3O4SSi and a molecular weight of 473.67 g/mol. Its IUPAC name is 6-[3-[tert-butyl(dimethyl)silyl]oxy-2,6-dimethylphenyl]-8-methyl-2-methylsulfonylpyrido[2,3-d]pyrimidin-7-one.

Molecular Properties

Compound Name6-[3-[tert-butyl(dimethyl)silyl]oxy-2,6-dimethylphenyl]-8-methyl-2-methylsulfonylpyrido[2,3-d]pyrimidin-7-one
PubChem CID169188378
Molecular FormulaC23H31N3O4SSi
Molecular Weight473.67 g/mol
Exact Mass473.18
IUPAC Name6-[3-[tert-butyl(dimethyl)silyl]oxy-2,6-dimethylphenyl]-8-methyl-2-methylsulfonylpyrido[2,3-d]pyrimidin-7-one
SMILESCc1ccc(O[Si](C)(C)C(C)(C)C)c(C)c1-c1cc2cnc(S(C)(=O)=O)nc2n(C)c1=O
InChIInChI=1S/C23H31N3O4SSi/c1-14-10-11-18(30-32(8,9)23(3,4)5)15(2)19(14)17-12-16-13-24-22(31(7,28)29)25-20(16)26(6)21(17)27/h10-13H,1-9H3
InChIKeySATOOJKMLOCBEW-UHFFFAOYSA-N
XLogP4.40
TPSA91.15 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.67
LogP ≤ 54.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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 6-[3-[tert-butyl(dimethyl)silyl]oxy-2,6-dimethylphenyl]-8-methyl-2-methylsulfonylpyrido[2,3-d]pyrimidin-7-one?
The IUPAC name of 6-[3-[tert-butyl(dimethyl)silyl]oxy-2,6-dimethylphenyl]-8-methyl-2-methylsulfonylpyrido[2,3-d]pyrimidin-7-one (CID 169188378) is 6-[3-[tert-butyl(dimethyl)silyl]oxy-2,6-dimethylphenyl]-8-methyl-2-methylsulfonylpyrido[2,3-d]pyrimidin-7-one.
What is the SMILES notation for 6-[3-[tert-butyl(dimethyl)silyl]oxy-2,6-dimethylphenyl]-8-methyl-2-methylsulfonylpyrido[2,3-d]pyrimidin-7-one?
The canonical SMILES for 6-[3-[tert-butyl(dimethyl)silyl]oxy-2,6-dimethylphenyl]-8-methyl-2-methylsulfonylpyrido[2,3-d]pyrimidin-7-one is Cc1ccc(O[Si](C)(C)C(C)(C)C)c(C)c1-c1cc2cnc(S(C)(=O)=O)nc2n(C)c1=O.
What is the InChIKey of 6-[3-[tert-butyl(dimethyl)silyl]oxy-2,6-dimethylphenyl]-8-methyl-2-methylsulfonylpyrido[2,3-d]pyrimidin-7-one?
The InChIKey is SATOOJKMLOCBEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31N3O4SSi/c1-14-10-11-18(30-32(8,9)23(3,4)5)15(2)19(14)17-12-16-13-24-22(31(7,28)29)25-20(16)26(6)21(17)27/h10-13H,1-9H3.
What are the key properties of 6-[3-[tert-butyl(dimethyl)silyl]oxy-2,6-dimethylphenyl]-8-methyl-2-methylsulfonylpyrido[2,3-d]pyrimidin-7-one?
6-[3-[tert-butyl(dimethyl)silyl]oxy-2,6-dimethylphenyl]-8-methyl-2-methylsulfonylpyrido[2,3-d]pyrimidin-7-one has a molecular weight of 473.67 g/mol, XLogP of 4.40, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-[tert-butyl(dimethyl)silyl]oxy-2,6-dimethylphenyl]-8-methyl-2-methylsulfonylpyrido[2,3-d]pyrimidin-7-one is sourced from PubChem (CID 169188378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).