6-acetyl-8-(3-hydroxycyclobutyl)-5-methyl-2-methylsulfanylpyrido[2,3-d]pyrimidin-7-one

C15H17N3O3S — CID 155210559

IUPAC6-acetyl-8-(3-hydroxycyclobutyl)-5-methyl-2-methylsulfanylpyrido[2,3-d]pyrimidin-7-one
SMILESCSc1ncc2c(C)c(C(C)=O)c(=O)n(C3CC(O)C3)c2n1
InChIInChI=1S/C15H17N3O3S/c1-7-11-6-16-15(22-3)17-13(11)18(9-4-10(20)5-9)14(21)12(7)8(2)19/h6,9-10,20H,4-5H2,1-3H3
InChIKeyYYISFMYNQIVAQB-UHFFFAOYSA-N
MW319.39 g/mol
LogP1.72
Rot. Bonds3

About 6-acetyl-8-(3-hydroxycyclobutyl)-5-methyl-2-methylsulfanylpyrido[2,3-d]pyrimidin-7-one

6-acetyl-8-(3-hydroxycyclobutyl)-5-methyl-2-methylsulfanylpyrido[2,3-d]pyrimidin-7-one (PubChem CID 155210559) has the molecular formula C15H17N3O3S and a molecular weight of 319.39 g/mol. Its IUPAC name is 6-acetyl-8-(3-hydroxycyclobutyl)-5-methyl-2-methylsulfanylpyrido[2,3-d]pyrimidin-7-one.

Molecular Properties

Compound Name6-acetyl-8-(3-hydroxycyclobutyl)-5-methyl-2-methylsulfanylpyrido[2,3-d]pyrimidin-7-one
PubChem CID155210559
Molecular FormulaC15H17N3O3S
Molecular Weight319.39 g/mol
Exact Mass319.10
IUPAC Name6-acetyl-8-(3-hydroxycyclobutyl)-5-methyl-2-methylsulfanylpyrido[2,3-d]pyrimidin-7-one
SMILESCSc1ncc2c(C)c(C(C)=O)c(=O)n(C3CC(O)C3)c2n1
InChIInChI=1S/C15H17N3O3S/c1-7-11-6-16-15(22-3)17-13(11)18(9-4-10(20)5-9)14(21)12(7)8(2)19/h6,9-10,20H,4-5H2,1-3H3
InChIKeyYYISFMYNQIVAQB-UHFFFAOYSA-N
XLogP1.72
TPSA85.08 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.39
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-acetyl-8-(3-hydroxycyclobutyl)-5-methyl-2-methylsulfanylpyrido[2,3-d]pyrimidin-7-one?
The IUPAC name of 6-acetyl-8-(3-hydroxycyclobutyl)-5-methyl-2-methylsulfanylpyrido[2,3-d]pyrimidin-7-one (CID 155210559) is 6-acetyl-8-(3-hydroxycyclobutyl)-5-methyl-2-methylsulfanylpyrido[2,3-d]pyrimidin-7-one.
What is the SMILES notation for 6-acetyl-8-(3-hydroxycyclobutyl)-5-methyl-2-methylsulfanylpyrido[2,3-d]pyrimidin-7-one?
The canonical SMILES for 6-acetyl-8-(3-hydroxycyclobutyl)-5-methyl-2-methylsulfanylpyrido[2,3-d]pyrimidin-7-one is CSc1ncc2c(C)c(C(C)=O)c(=O)n(C3CC(O)C3)c2n1.
What is the InChIKey of 6-acetyl-8-(3-hydroxycyclobutyl)-5-methyl-2-methylsulfanylpyrido[2,3-d]pyrimidin-7-one?
The InChIKey is YYISFMYNQIVAQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O3S/c1-7-11-6-16-15(22-3)17-13(11)18(9-4-10(20)5-9)14(21)12(7)8(2)19/h6,9-10,20H,4-5H2,1-3H3.
What are the key properties of 6-acetyl-8-(3-hydroxycyclobutyl)-5-methyl-2-methylsulfanylpyrido[2,3-d]pyrimidin-7-one?
6-acetyl-8-(3-hydroxycyclobutyl)-5-methyl-2-methylsulfanylpyrido[2,3-d]pyrimidin-7-one has a molecular weight of 319.39 g/mol, XLogP of 1.72, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-acetyl-8-(3-hydroxycyclobutyl)-5-methyl-2-methylsulfanylpyrido[2,3-d]pyrimidin-7-one is sourced from PubChem (CID 155210559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).