2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-(3-hydroxypropyl)acetamide

C11H17N3O2S — CID 4649524

IUPAC2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-(3-hydroxypropyl)acetamide
SMILESCc1cc(C)nc(SCC(=O)NCCCO)n1
InChIInChI=1S/C11H17N3O2S/c1-8-6-9(2)14-11(13-8)17-7-10(16)12-4-3-5-15/h6,15H,3-5,7H2,1-2H3,(H,12,16)
InChIKeyLUGHLSHUPZYUMM-UHFFFAOYSA-N
MW255.34 g/mol
LogP0.68
Rot. Bonds6

About 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-(3-hydroxypropyl)acetamide

2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-(3-hydroxypropyl)acetamide (PubChem CID 4649524) has the molecular formula C11H17N3O2S and a molecular weight of 255.34 g/mol. Its IUPAC name is 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-(3-hydroxypropyl)acetamide.

Molecular Properties

Compound Name2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-(3-hydroxypropyl)acetamide
PubChem CID4649524
Molecular FormulaC11H17N3O2S
Molecular Weight255.34 g/mol
Exact Mass255.10
IUPAC Name2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-(3-hydroxypropyl)acetamide
SMILESCc1cc(C)nc(SCC(=O)NCCCO)n1
InChIInChI=1S/C11H17N3O2S/c1-8-6-9(2)14-11(13-8)17-7-10(16)12-4-3-5-15/h6,15H,3-5,7H2,1-2H3,(H,12,16)
InChIKeyLUGHLSHUPZYUMM-UHFFFAOYSA-N
XLogP0.68
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.34
LogP ≤ 50.68
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-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-(3-hydroxypropyl)acetamide?
The IUPAC name of 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-(3-hydroxypropyl)acetamide (CID 4649524) is 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-(3-hydroxypropyl)acetamide.
What is the SMILES notation for 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-(3-hydroxypropyl)acetamide?
The canonical SMILES for 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-(3-hydroxypropyl)acetamide is Cc1cc(C)nc(SCC(=O)NCCCO)n1.
What is the InChIKey of 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-(3-hydroxypropyl)acetamide?
The InChIKey is LUGHLSHUPZYUMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O2S/c1-8-6-9(2)14-11(13-8)17-7-10(16)12-4-3-5-15/h6,15H,3-5,7H2,1-2H3,(H,12,16).
What are the key properties of 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-(3-hydroxypropyl)acetamide?
2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-(3-hydroxypropyl)acetamide has a molecular weight of 255.34 g/mol, XLogP of 0.68, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-(3-hydroxypropyl)acetamide is sourced from PubChem (CID 4649524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).