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

C16H19N3O3S — CID 11348177

IUPAC(8-cyclopentyl-2-methylsulfanyl-7-oxopyrido[2,3-d]pyrimidin-6-yl)methyl acetate
SMILESCSc1ncc2cc(COC(C)=O)c(=O)n(C3CCCC3)c2n1
InChIInChI=1S/C16H19N3O3S/c1-10(20)22-9-12-7-11-8-17-16(23-2)18-14(11)19(15(12)21)13-5-3-4-6-13/h7-8,13H,3-6,9H2,1-2H3
InChIKeyUIWNMPJDXDKUEA-UHFFFAOYSA-N
MW333.41 g/mol
LogP2.69
Rot. Bonds4

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

(8-cyclopentyl-2-methylsulfanyl-7-oxopyrido[2,3-d]pyrimidin-6-yl)methyl acetate (PubChem CID 11348177) has the molecular formula C16H19N3O3S and a molecular weight of 333.41 g/mol. Its IUPAC name is (8-cyclopentyl-2-methylsulfanyl-7-oxopyrido[2,3-d]pyrimidin-6-yl)methyl acetate.

Molecular Properties

Compound Name(8-cyclopentyl-2-methylsulfanyl-7-oxopyrido[2,3-d]pyrimidin-6-yl)methyl acetate
PubChem CID11348177
Molecular FormulaC16H19N3O3S
Molecular Weight333.41 g/mol
Exact Mass333.11
IUPAC Name(8-cyclopentyl-2-methylsulfanyl-7-oxopyrido[2,3-d]pyrimidin-6-yl)methyl acetate
SMILESCSc1ncc2cc(COC(C)=O)c(=O)n(C3CCCC3)c2n1
InChIInChI=1S/C16H19N3O3S/c1-10(20)22-9-12-7-11-8-17-16(23-2)18-14(11)19(15(12)21)13-5-3-4-6-13/h7-8,13H,3-6,9H2,1-2H3
InChIKeyUIWNMPJDXDKUEA-UHFFFAOYSA-N
XLogP2.69
TPSA74.08 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.41
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of (8-cyclopentyl-2-methylsulfanyl-7-oxopyrido[2,3-d]pyrimidin-6-yl)methyl acetate?
The IUPAC name of (8-cyclopentyl-2-methylsulfanyl-7-oxopyrido[2,3-d]pyrimidin-6-yl)methyl acetate (CID 11348177) is (8-cyclopentyl-2-methylsulfanyl-7-oxopyrido[2,3-d]pyrimidin-6-yl)methyl acetate.
What is the SMILES notation for (8-cyclopentyl-2-methylsulfanyl-7-oxopyrido[2,3-d]pyrimidin-6-yl)methyl acetate?
The canonical SMILES for (8-cyclopentyl-2-methylsulfanyl-7-oxopyrido[2,3-d]pyrimidin-6-yl)methyl acetate is CSc1ncc2cc(COC(C)=O)c(=O)n(C3CCCC3)c2n1.
What is the InChIKey of (8-cyclopentyl-2-methylsulfanyl-7-oxopyrido[2,3-d]pyrimidin-6-yl)methyl acetate?
The InChIKey is UIWNMPJDXDKUEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O3S/c1-10(20)22-9-12-7-11-8-17-16(23-2)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-methylsulfanyl-7-oxopyrido[2,3-d]pyrimidin-6-yl)methyl acetate?
(8-cyclopentyl-2-methylsulfanyl-7-oxopyrido[2,3-d]pyrimidin-6-yl)methyl acetate has a molecular weight of 333.41 g/mol, XLogP of 2.69, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (8-cyclopentyl-2-methylsulfanyl-7-oxopyrido[2,3-d]pyrimidin-6-yl)methyl acetate is sourced from PubChem (CID 11348177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).