2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-(3-methyl-2-morpholin-4-ylbutyl)acetamide

C17H28N4O2S — CID 55634242

IUPAC2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-(3-methyl-2-morpholin-4-ylbutyl)acetamide
SMILESCc1cc(C)nc(SCC(=O)NCC(C(C)C)N2CCOCC2)n1
InChIInChI=1S/C17H28N4O2S/c1-12(2)15(21-5-7-23-8-6-21)10-18-16(22)11-24-17-19-13(3)9-14(4)20-17/h9,12,15H,5-8,10-11H2,1-4H3,(H,18,22)
InChIKeyHRKZBIOBQRSSBM-UHFFFAOYSA-N
MW352.50 g/mol
LogP1.66
Rot. Bonds7

About 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-(3-methyl-2-morpholin-4-ylbutyl)acetamide

2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-(3-methyl-2-morpholin-4-ylbutyl)acetamide (PubChem CID 55634242) has the molecular formula C17H28N4O2S and a molecular weight of 352.50 g/mol. Its IUPAC name is 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-(3-methyl-2-morpholin-4-ylbutyl)acetamide.

Molecular Properties

Compound Name2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-(3-methyl-2-morpholin-4-ylbutyl)acetamide
PubChem CID55634242
Molecular FormulaC17H28N4O2S
Molecular Weight352.50 g/mol
Exact Mass352.19
IUPAC Name2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-(3-methyl-2-morpholin-4-ylbutyl)acetamide
SMILESCc1cc(C)nc(SCC(=O)NCC(C(C)C)N2CCOCC2)n1
InChIInChI=1S/C17H28N4O2S/c1-12(2)15(21-5-7-23-8-6-21)10-18-16(22)11-24-17-19-13(3)9-14(4)20-17/h9,12,15H,5-8,10-11H2,1-4H3,(H,18,22)
InChIKeyHRKZBIOBQRSSBM-UHFFFAOYSA-N
XLogP1.66
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.50
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-(3-methyl-2-morpholin-4-ylbutyl)acetamide?
The IUPAC name of 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-(3-methyl-2-morpholin-4-ylbutyl)acetamide (CID 55634242) is 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-(3-methyl-2-morpholin-4-ylbutyl)acetamide.
What is the SMILES notation for 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-(3-methyl-2-morpholin-4-ylbutyl)acetamide?
The canonical SMILES for 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-(3-methyl-2-morpholin-4-ylbutyl)acetamide is Cc1cc(C)nc(SCC(=O)NCC(C(C)C)N2CCOCC2)n1.
What is the InChIKey of 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-(3-methyl-2-morpholin-4-ylbutyl)acetamide?
The InChIKey is HRKZBIOBQRSSBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N4O2S/c1-12(2)15(21-5-7-23-8-6-21)10-18-16(22)11-24-17-19-13(3)9-14(4)20-17/h9,12,15H,5-8,10-11H2,1-4H3,(H,18,22).
What are the key properties of 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-(3-methyl-2-morpholin-4-ylbutyl)acetamide?
2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-(3-methyl-2-morpholin-4-ylbutyl)acetamide has a molecular weight of 352.50 g/mol, XLogP of 1.66, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-(3-methyl-2-morpholin-4-ylbutyl)acetamide is sourced from PubChem (CID 55634242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).