6-(4-methylpyrimidin-2-yl)sulfanylhexan-1-ol

C11H18N2OS — CID 54236784

IUPAC6-(4-methylpyrimidin-2-yl)sulfanylhexan-1-ol
SMILESCc1ccnc(SCCCCCCO)n1
InChIInChI=1S/C11H18N2OS/c1-10-6-7-12-11(13-10)15-9-5-3-2-4-8-14/h6-7,14H,2-5,8-9H2,1H3
InChIKeyOGDGPRDXAFRZQK-UHFFFAOYSA-N
MW226.34 g/mol
LogP2.43
Rot. Bonds7

About 6-(4-methylpyrimidin-2-yl)sulfanylhexan-1-ol

6-(4-methylpyrimidin-2-yl)sulfanylhexan-1-ol (PubChem CID 54236784) has the molecular formula C11H18N2OS and a molecular weight of 226.34 g/mol. Its IUPAC name is 6-(4-methylpyrimidin-2-yl)sulfanylhexan-1-ol.

Molecular Properties

Compound Name6-(4-methylpyrimidin-2-yl)sulfanylhexan-1-ol
PubChem CID54236784
Molecular FormulaC11H18N2OS
Molecular Weight226.34 g/mol
Exact Mass226.11
IUPAC Name6-(4-methylpyrimidin-2-yl)sulfanylhexan-1-ol
SMILESCc1ccnc(SCCCCCCO)n1
InChIInChI=1S/C11H18N2OS/c1-10-6-7-12-11(13-10)15-9-5-3-2-4-8-14/h6-7,14H,2-5,8-9H2,1H3
InChIKeyOGDGPRDXAFRZQK-UHFFFAOYSA-N
XLogP2.43
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.34
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 6-(4-methylpyrimidin-2-yl)sulfanylhexan-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-(4-methylpyrimidin-2-yl)sulfanylhexan-1-ol?
The IUPAC name of 6-(4-methylpyrimidin-2-yl)sulfanylhexan-1-ol (CID 54236784) is 6-(4-methylpyrimidin-2-yl)sulfanylhexan-1-ol.
What is the SMILES notation for 6-(4-methylpyrimidin-2-yl)sulfanylhexan-1-ol?
The canonical SMILES for 6-(4-methylpyrimidin-2-yl)sulfanylhexan-1-ol is Cc1ccnc(SCCCCCCO)n1.
What is the InChIKey of 6-(4-methylpyrimidin-2-yl)sulfanylhexan-1-ol?
The InChIKey is OGDGPRDXAFRZQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2OS/c1-10-6-7-12-11(13-10)15-9-5-3-2-4-8-14/h6-7,14H,2-5,8-9H2,1H3.
What are the key properties of 6-(4-methylpyrimidin-2-yl)sulfanylhexan-1-ol?
6-(4-methylpyrimidin-2-yl)sulfanylhexan-1-ol has a molecular weight of 226.34 g/mol, XLogP of 2.43, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-methylpyrimidin-2-yl)sulfanylhexan-1-ol is sourced from PubChem (CID 54236784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).