2-[(4-ethyl-5-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-naphthalen-1-ylacetamide

C19H19N3O2S — CID 135429245

IUPAC2-[(4-ethyl-5-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-naphthalen-1-ylacetamide
SMILESCCc1nc(SCC(=O)Nc2cccc3ccccc23)[nH]c(=O)c1C
InChIInChI=1S/C19H19N3O2S/c1-3-15-12(2)18(24)22-19(21-15)25-11-17(23)20-16-10-6-8-13-7-4-5-9-14(13)16/h4-10H,3,11H2,1-2H3,(H,20,23)(H,21,22,24)
InChIKeyZHGTVGODQBHQGQ-UHFFFAOYSA-N
MW353.45 g/mol
LogP3.52
Rot. Bonds5

About 2-[(4-ethyl-5-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-naphthalen-1-ylacetamide

2-[(4-ethyl-5-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-naphthalen-1-ylacetamide (PubChem CID 135429245) has the molecular formula C19H19N3O2S and a molecular weight of 353.45 g/mol. Its IUPAC name is 2-[(4-ethyl-5-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-naphthalen-1-ylacetamide.

Molecular Properties

Compound Name2-[(4-ethyl-5-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-naphthalen-1-ylacetamide
PubChem CID135429245
Molecular FormulaC19H19N3O2S
Molecular Weight353.45 g/mol
Exact Mass353.12
IUPAC Name2-[(4-ethyl-5-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-naphthalen-1-ylacetamide
SMILESCCc1nc(SCC(=O)Nc2cccc3ccccc23)[nH]c(=O)c1C
InChIInChI=1S/C19H19N3O2S/c1-3-15-12(2)18(24)22-19(21-15)25-11-17(23)20-16-10-6-8-13-7-4-5-9-14(13)16/h4-10H,3,11H2,1-2H3,(H,20,23)(H,21,22,24)
InChIKeyZHGTVGODQBHQGQ-UHFFFAOYSA-N
XLogP3.52
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.45
LogP ≤ 53.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-ethyl-5-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-naphthalen-1-ylacetamide?
The IUPAC name of 2-[(4-ethyl-5-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-naphthalen-1-ylacetamide (CID 135429245) is 2-[(4-ethyl-5-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-naphthalen-1-ylacetamide.
What is the SMILES notation for 2-[(4-ethyl-5-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-naphthalen-1-ylacetamide?
The canonical SMILES for 2-[(4-ethyl-5-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-naphthalen-1-ylacetamide is CCc1nc(SCC(=O)Nc2cccc3ccccc23)[nH]c(=O)c1C.
What is the InChIKey of 2-[(4-ethyl-5-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-naphthalen-1-ylacetamide?
The InChIKey is ZHGTVGODQBHQGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O2S/c1-3-15-12(2)18(24)22-19(21-15)25-11-17(23)20-16-10-6-8-13-7-4-5-9-14(13)16/h4-10H,3,11H2,1-2H3,(H,20,23)(H,21,22,24).
What are the key properties of 2-[(4-ethyl-5-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-naphthalen-1-ylacetamide?
2-[(4-ethyl-5-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-naphthalen-1-ylacetamide has a molecular weight of 353.45 g/mol, XLogP of 3.52, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-ethyl-5-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-naphthalen-1-ylacetamide is sourced from PubChem (CID 135429245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).