ethyl 2-[[2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetyl]amino]acetate

C11H15N3O4S — CID 135527349

IUPACethyl 2-[[2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetyl]amino]acetate
SMILESCCOC(=O)CNC(=O)CSc1nc(C)cc(=O)[nH]1
InChIInChI=1S/C11H15N3O4S/c1-3-18-10(17)5-12-9(16)6-19-11-13-7(2)4-8(15)14-11/h4H,3,5-6H2,1-2H3,(H,12,16)(H,13,14,15)
InChIKeyYSESFHJJGDBGCT-UHFFFAOYSA-N
MW285.32 g/mol
LogP-0.15
Rot. Bonds6

About ethyl 2-[[2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetyl]amino]acetate

ethyl 2-[[2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetyl]amino]acetate (PubChem CID 135527349) has the molecular formula C11H15N3O4S and a molecular weight of 285.32 g/mol. Its IUPAC name is ethyl 2-[[2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetyl]amino]acetate.

Molecular Properties

Compound Nameethyl 2-[[2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetyl]amino]acetate
PubChem CID135527349
Molecular FormulaC11H15N3O4S
Molecular Weight285.32 g/mol
Exact Mass285.08
IUPAC Nameethyl 2-[[2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetyl]amino]acetate
SMILESCCOC(=O)CNC(=O)CSc1nc(C)cc(=O)[nH]1
InChIInChI=1S/C11H15N3O4S/c1-3-18-10(17)5-12-9(16)6-19-11-13-7(2)4-8(15)14-11/h4H,3,5-6H2,1-2H3,(H,12,16)(H,13,14,15)
InChIKeyYSESFHJJGDBGCT-UHFFFAOYSA-N
XLogP-0.15
TPSA101.15 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.32
LogP ≤ 5-0.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze ethyl 2-[[2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetyl]amino]acetate 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 ethyl 2-[[2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetyl]amino]acetate?
The IUPAC name of ethyl 2-[[2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetyl]amino]acetate (CID 135527349) is ethyl 2-[[2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetyl]amino]acetate.
What is the SMILES notation for ethyl 2-[[2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetyl]amino]acetate?
The canonical SMILES for ethyl 2-[[2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetyl]amino]acetate is CCOC(=O)CNC(=O)CSc1nc(C)cc(=O)[nH]1.
What is the InChIKey of ethyl 2-[[2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetyl]amino]acetate?
The InChIKey is YSESFHJJGDBGCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O4S/c1-3-18-10(17)5-12-9(16)6-19-11-13-7(2)4-8(15)14-11/h4H,3,5-6H2,1-2H3,(H,12,16)(H,13,14,15).
What are the key properties of ethyl 2-[[2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetyl]amino]acetate?
ethyl 2-[[2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetyl]amino]acetate has a molecular weight of 285.32 g/mol, XLogP of -0.15, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[[2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetyl]amino]acetate is sourced from PubChem (CID 135527349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).