(8-cyclopentyl-2-methylsulfinyl-7-oxopyrido[2,3-d]pyrimidin-6-yl)methyl acetate

C16H19N3O4S — CID 11439492

IUPAC(8-cyclopentyl-2-methylsulfinyl-7-oxopyrido[2,3-d]pyrimidin-6-yl)methyl acetate
SMILESCC(=O)OCc1cc2cnc(S(C)=O)nc2n(C2CCCC2)c1=O
InChIInChI=1S/C16H19N3O4S/c1-10(20)23-9-12-7-11-8-17-16(24(2)22)18-14(11)19(15(12)21)13-5-3-4-6-13/h7-8,13H,3-6,9H2,1-2H3
InChIKeySSJANIZLZKBZOH-UHFFFAOYSA-N
MW349.41 g/mol
LogP1.71
Rot. Bonds4

About (8-cyclopentyl-2-methylsulfinyl-7-oxopyrido[2,3-d]pyrimidin-6-yl)methyl acetate

(8-cyclopentyl-2-methylsulfinyl-7-oxopyrido[2,3-d]pyrimidin-6-yl)methyl acetate (PubChem CID 11439492) has the molecular formula C16H19N3O4S and a molecular weight of 349.41 g/mol. Its IUPAC name is (8-cyclopentyl-2-methylsulfinyl-7-oxopyrido[2,3-d]pyrimidin-6-yl)methyl acetate.

Molecular Properties

Compound Name(8-cyclopentyl-2-methylsulfinyl-7-oxopyrido[2,3-d]pyrimidin-6-yl)methyl acetate
PubChem CID11439492
Molecular FormulaC16H19N3O4S
Molecular Weight349.41 g/mol
Exact Mass349.11
IUPAC Name(8-cyclopentyl-2-methylsulfinyl-7-oxopyrido[2,3-d]pyrimidin-6-yl)methyl acetate
SMILESCC(=O)OCc1cc2cnc(S(C)=O)nc2n(C2CCCC2)c1=O
InChIInChI=1S/C16H19N3O4S/c1-10(20)23-9-12-7-11-8-17-16(24(2)22)18-14(11)19(15(12)21)13-5-3-4-6-13/h7-8,13H,3-6,9H2,1-2H3
InChIKeySSJANIZLZKBZOH-UHFFFAOYSA-N
XLogP1.71
TPSA91.15 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.41
LogP ≤ 51.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of (8-cyclopentyl-2-methylsulfinyl-7-oxopyrido[2,3-d]pyrimidin-6-yl)methyl acetate?
The IUPAC name of (8-cyclopentyl-2-methylsulfinyl-7-oxopyrido[2,3-d]pyrimidin-6-yl)methyl acetate (CID 11439492) is (8-cyclopentyl-2-methylsulfinyl-7-oxopyrido[2,3-d]pyrimidin-6-yl)methyl acetate.
What is the SMILES notation for (8-cyclopentyl-2-methylsulfinyl-7-oxopyrido[2,3-d]pyrimidin-6-yl)methyl acetate?
The canonical SMILES for (8-cyclopentyl-2-methylsulfinyl-7-oxopyrido[2,3-d]pyrimidin-6-yl)methyl acetate is CC(=O)OCc1cc2cnc(S(C)=O)nc2n(C2CCCC2)c1=O.
What is the InChIKey of (8-cyclopentyl-2-methylsulfinyl-7-oxopyrido[2,3-d]pyrimidin-6-yl)methyl acetate?
The InChIKey is SSJANIZLZKBZOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O4S/c1-10(20)23-9-12-7-11-8-17-16(24(2)22)18-14(11)19(15(12)21)13-5-3-4-6-13/h7-8,13H,3-6,9H2,1-2H3.
What are the key properties of (8-cyclopentyl-2-methylsulfinyl-7-oxopyrido[2,3-d]pyrimidin-6-yl)methyl acetate?
(8-cyclopentyl-2-methylsulfinyl-7-oxopyrido[2,3-d]pyrimidin-6-yl)methyl acetate has a molecular weight of 349.41 g/mol, XLogP of 1.71, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (8-cyclopentyl-2-methylsulfinyl-7-oxopyrido[2,3-d]pyrimidin-6-yl)methyl acetate is sourced from PubChem (CID 11439492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).