2-[(4-ethyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-(2-methoxyethyl)acetamide

C11H17N3O3S — CID 135515378

IUPAC2-[(4-ethyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-(2-methoxyethyl)acetamide
SMILESCCc1cc(=O)[nH]c(SCC(=O)NCCOC)n1
InChIInChI=1S/C11H17N3O3S/c1-3-8-6-9(15)14-11(13-8)18-7-10(16)12-4-5-17-2/h6H,3-5,7H2,1-2H3,(H,12,16)(H,13,14,15)
InChIKeyYGQHASOLVHDJCY-UHFFFAOYSA-N
MW271.34 g/mol
LogP0.19
Rot. Bonds7

About 2-[(4-ethyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-(2-methoxyethyl)acetamide

2-[(4-ethyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-(2-methoxyethyl)acetamide (PubChem CID 135515378) has the molecular formula C11H17N3O3S and a molecular weight of 271.34 g/mol. Its IUPAC name is 2-[(4-ethyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-(2-methoxyethyl)acetamide.

Molecular Properties

Compound Name2-[(4-ethyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-(2-methoxyethyl)acetamide
PubChem CID135515378
Molecular FormulaC11H17N3O3S
Molecular Weight271.34 g/mol
Exact Mass271.10
IUPAC Name2-[(4-ethyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-(2-methoxyethyl)acetamide
SMILESCCc1cc(=O)[nH]c(SCC(=O)NCCOC)n1
InChIInChI=1S/C11H17N3O3S/c1-3-8-6-9(15)14-11(13-8)18-7-10(16)12-4-5-17-2/h6H,3-5,7H2,1-2H3,(H,12,16)(H,13,14,15)
InChIKeyYGQHASOLVHDJCY-UHFFFAOYSA-N
XLogP0.19
TPSA84.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.34
LogP ≤ 50.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-ethyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-(2-methoxyethyl)acetamide?
The IUPAC name of 2-[(4-ethyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-(2-methoxyethyl)acetamide (CID 135515378) is 2-[(4-ethyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-(2-methoxyethyl)acetamide.
What is the SMILES notation for 2-[(4-ethyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-(2-methoxyethyl)acetamide?
The canonical SMILES for 2-[(4-ethyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-(2-methoxyethyl)acetamide is CCc1cc(=O)[nH]c(SCC(=O)NCCOC)n1.
What is the InChIKey of 2-[(4-ethyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-(2-methoxyethyl)acetamide?
The InChIKey is YGQHASOLVHDJCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O3S/c1-3-8-6-9(15)14-11(13-8)18-7-10(16)12-4-5-17-2/h6H,3-5,7H2,1-2H3,(H,12,16)(H,13,14,15).
What are the key properties of 2-[(4-ethyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-(2-methoxyethyl)acetamide?
2-[(4-ethyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-(2-methoxyethyl)acetamide has a molecular weight of 271.34 g/mol, XLogP of 0.19, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-ethyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-(2-methoxyethyl)acetamide is sourced from PubChem (CID 135515378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).