2-[(8-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methylsulfanyl]acetamide

C12H13N3O2S — CID 17392121

IUPAC2-[(8-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methylsulfanyl]acetamide
SMILESCc1ccn2c(=O)cc(CSCC(N)=O)nc2c1
InChIInChI=1S/C12H13N3O2S/c1-8-2-3-15-11(4-8)14-9(5-12(15)17)6-18-7-10(13)16/h2-5H,6-7H2,1H3,(H2,13,16)
InChIKeyGGPMWEDWTKVZDA-UHFFFAOYSA-N
MW263.32 g/mol
LogP0.72
Rot. Bonds4

About 2-[(8-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methylsulfanyl]acetamide

2-[(8-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methylsulfanyl]acetamide (PubChem CID 17392121) has the molecular formula C12H13N3O2S and a molecular weight of 263.32 g/mol. Its IUPAC name is 2-[(8-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methylsulfanyl]acetamide.

Molecular Properties

Compound Name2-[(8-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methylsulfanyl]acetamide
PubChem CID17392121
Molecular FormulaC12H13N3O2S
Molecular Weight263.32 g/mol
Exact Mass263.07
IUPAC Name2-[(8-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methylsulfanyl]acetamide
SMILESCc1ccn2c(=O)cc(CSCC(N)=O)nc2c1
InChIInChI=1S/C12H13N3O2S/c1-8-2-3-15-11(4-8)14-9(5-12(15)17)6-18-7-10(13)16/h2-5H,6-7H2,1H3,(H2,13,16)
InChIKeyGGPMWEDWTKVZDA-UHFFFAOYSA-N
XLogP0.72
TPSA77.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.32
LogP ≤ 50.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[(8-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methylsulfanyl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[(8-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methylsulfanyl]acetamide?
The IUPAC name of 2-[(8-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methylsulfanyl]acetamide (CID 17392121) is 2-[(8-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methylsulfanyl]acetamide.
What is the SMILES notation for 2-[(8-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methylsulfanyl]acetamide?
The canonical SMILES for 2-[(8-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methylsulfanyl]acetamide is Cc1ccn2c(=O)cc(CSCC(N)=O)nc2c1.
What is the InChIKey of 2-[(8-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methylsulfanyl]acetamide?
The InChIKey is GGPMWEDWTKVZDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O2S/c1-8-2-3-15-11(4-8)14-9(5-12(15)17)6-18-7-10(13)16/h2-5H,6-7H2,1H3,(H2,13,16).
What are the key properties of 2-[(8-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methylsulfanyl]acetamide?
2-[(8-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methylsulfanyl]acetamide has a molecular weight of 263.32 g/mol, XLogP of 0.72, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(8-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methylsulfanyl]acetamide is sourced from PubChem (CID 17392121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).