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

C15H17N3O3S — CID 135449279

IUPAC2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-(2-phenoxyethyl)acetamide
SMILESCc1cc(=O)[nH]c(SCC(=O)NCCOc2ccccc2)n1
InChIInChI=1S/C15H17N3O3S/c1-11-9-13(19)18-15(17-11)22-10-14(20)16-7-8-21-12-5-3-2-4-6-12/h2-6,9H,7-8,10H2,1H3,(H,16,20)(H,17,18,19)
InChIKeyZEXHUQGHQSWMAT-UHFFFAOYSA-N
MW319.39 g/mol
LogP1.37
Rot. Bonds7

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

2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-(2-phenoxyethyl)acetamide (PubChem CID 135449279) has the molecular formula C15H17N3O3S and a molecular weight of 319.39 g/mol. Its IUPAC name is 2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-(2-phenoxyethyl)acetamide.

Molecular Properties

Compound Name2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-(2-phenoxyethyl)acetamide
PubChem CID135449279
Molecular FormulaC15H17N3O3S
Molecular Weight319.39 g/mol
Exact Mass319.10
IUPAC Name2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-(2-phenoxyethyl)acetamide
SMILESCc1cc(=O)[nH]c(SCC(=O)NCCOc2ccccc2)n1
InChIInChI=1S/C15H17N3O3S/c1-11-9-13(19)18-15(17-11)22-10-14(20)16-7-8-21-12-5-3-2-4-6-12/h2-6,9H,7-8,10H2,1H3,(H,16,20)(H,17,18,19)
InChIKeyZEXHUQGHQSWMAT-UHFFFAOYSA-N
XLogP1.37
TPSA84.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.39
LogP ≤ 51.37
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-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-(2-phenoxyethyl)acetamide?
The IUPAC name of 2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-(2-phenoxyethyl)acetamide (CID 135449279) is 2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-(2-phenoxyethyl)acetamide.
What is the SMILES notation for 2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-(2-phenoxyethyl)acetamide?
The canonical SMILES for 2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-(2-phenoxyethyl)acetamide is Cc1cc(=O)[nH]c(SCC(=O)NCCOc2ccccc2)n1.
What is the InChIKey of 2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-(2-phenoxyethyl)acetamide?
The InChIKey is ZEXHUQGHQSWMAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O3S/c1-11-9-13(19)18-15(17-11)22-10-14(20)16-7-8-21-12-5-3-2-4-6-12/h2-6,9H,7-8,10H2,1H3,(H,16,20)(H,17,18,19).
What are the key properties of 2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-(2-phenoxyethyl)acetamide?
2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-(2-phenoxyethyl)acetamide has a molecular weight of 319.39 g/mol, XLogP of 1.37, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-(2-phenoxyethyl)acetamide is sourced from PubChem (CID 135449279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).