2-(6-methyl-2-methylsulfanylpyrimidin-4-yl)sulfanyl-N-phenylacetamide

C14H15N3OS2 — CID 2217946

IUPAC2-(6-methyl-2-methylsulfanylpyrimidin-4-yl)sulfanyl-N-phenylacetamide
SMILESCSc1nc(C)cc(SCC(=O)Nc2ccccc2)n1
InChIInChI=1S/C14H15N3OS2/c1-10-8-13(17-14(15-10)19-2)20-9-12(18)16-11-6-4-3-5-7-11/h3-8H,9H2,1-2H3,(H,16,18)
InChIKeyNSDMJCZTXCFAIQ-UHFFFAOYSA-N
MW305.43 g/mol
LogP3.24
Rot. Bonds5

About 2-(6-methyl-2-methylsulfanylpyrimidin-4-yl)sulfanyl-N-phenylacetamide

2-(6-methyl-2-methylsulfanylpyrimidin-4-yl)sulfanyl-N-phenylacetamide (PubChem CID 2217946) has the molecular formula C14H15N3OS2 and a molecular weight of 305.43 g/mol. Its IUPAC name is 2-(6-methyl-2-methylsulfanylpyrimidin-4-yl)sulfanyl-N-phenylacetamide.

Molecular Properties

Compound Name2-(6-methyl-2-methylsulfanylpyrimidin-4-yl)sulfanyl-N-phenylacetamide
PubChem CID2217946
Molecular FormulaC14H15N3OS2
Molecular Weight305.43 g/mol
Exact Mass305.07
IUPAC Name2-(6-methyl-2-methylsulfanylpyrimidin-4-yl)sulfanyl-N-phenylacetamide
SMILESCSc1nc(C)cc(SCC(=O)Nc2ccccc2)n1
InChIInChI=1S/C14H15N3OS2/c1-10-8-13(17-14(15-10)19-2)20-9-12(18)16-11-6-4-3-5-7-11/h3-8H,9H2,1-2H3,(H,16,18)
InChIKeyNSDMJCZTXCFAIQ-UHFFFAOYSA-N
XLogP3.24
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.43
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(6-methyl-2-methylsulfanylpyrimidin-4-yl)sulfanyl-N-phenylacetamide?
The IUPAC name of 2-(6-methyl-2-methylsulfanylpyrimidin-4-yl)sulfanyl-N-phenylacetamide (CID 2217946) is 2-(6-methyl-2-methylsulfanylpyrimidin-4-yl)sulfanyl-N-phenylacetamide.
What is the SMILES notation for 2-(6-methyl-2-methylsulfanylpyrimidin-4-yl)sulfanyl-N-phenylacetamide?
The canonical SMILES for 2-(6-methyl-2-methylsulfanylpyrimidin-4-yl)sulfanyl-N-phenylacetamide is CSc1nc(C)cc(SCC(=O)Nc2ccccc2)n1.
What is the InChIKey of 2-(6-methyl-2-methylsulfanylpyrimidin-4-yl)sulfanyl-N-phenylacetamide?
The InChIKey is NSDMJCZTXCFAIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3OS2/c1-10-8-13(17-14(15-10)19-2)20-9-12(18)16-11-6-4-3-5-7-11/h3-8H,9H2,1-2H3,(H,16,18).
What are the key properties of 2-(6-methyl-2-methylsulfanylpyrimidin-4-yl)sulfanyl-N-phenylacetamide?
2-(6-methyl-2-methylsulfanylpyrimidin-4-yl)sulfanyl-N-phenylacetamide has a molecular weight of 305.43 g/mol, XLogP of 3.24, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-methyl-2-methylsulfanylpyrimidin-4-yl)sulfanyl-N-phenylacetamide is sourced from PubChem (CID 2217946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).