3-(5-fluoro-6-methylpyrimidin-4-yl)sulfanylbutan-2-ol

C9H13FN2OS — CID 103704746

IUPAC3-(5-fluoro-6-methylpyrimidin-4-yl)sulfanylbutan-2-ol
SMILESCc1ncnc(SC(C)C(C)O)c1F
InChIInChI=1S/C9H13FN2OS/c1-5-8(10)9(12-4-11-5)14-7(3)6(2)13/h4,6-7,13H,1-3H3
InChIKeyVCPAJEGQARZPMV-UHFFFAOYSA-N
MW216.28 g/mol
LogP1.79
Rot. Bonds3

About 3-(5-fluoro-6-methylpyrimidin-4-yl)sulfanylbutan-2-ol

3-(5-fluoro-6-methylpyrimidin-4-yl)sulfanylbutan-2-ol (PubChem CID 103704746) has the molecular formula C9H13FN2OS and a molecular weight of 216.28 g/mol. Its IUPAC name is 3-(5-fluoro-6-methylpyrimidin-4-yl)sulfanylbutan-2-ol.

Molecular Properties

Compound Name3-(5-fluoro-6-methylpyrimidin-4-yl)sulfanylbutan-2-ol
PubChem CID103704746
Molecular FormulaC9H13FN2OS
Molecular Weight216.28 g/mol
Exact Mass216.07
IUPAC Name3-(5-fluoro-6-methylpyrimidin-4-yl)sulfanylbutan-2-ol
SMILESCc1ncnc(SC(C)C(C)O)c1F
InChIInChI=1S/C9H13FN2OS/c1-5-8(10)9(12-4-11-5)14-7(3)6(2)13/h4,6-7,13H,1-3H3
InChIKeyVCPAJEGQARZPMV-UHFFFAOYSA-N
XLogP1.79
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.28
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-(5-fluoro-6-methylpyrimidin-4-yl)sulfanylbutan-2-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 3-(5-fluoro-6-methylpyrimidin-4-yl)sulfanylbutan-2-ol?
The IUPAC name of 3-(5-fluoro-6-methylpyrimidin-4-yl)sulfanylbutan-2-ol (CID 103704746) is 3-(5-fluoro-6-methylpyrimidin-4-yl)sulfanylbutan-2-ol.
What is the SMILES notation for 3-(5-fluoro-6-methylpyrimidin-4-yl)sulfanylbutan-2-ol?
The canonical SMILES for 3-(5-fluoro-6-methylpyrimidin-4-yl)sulfanylbutan-2-ol is Cc1ncnc(SC(C)C(C)O)c1F.
What is the InChIKey of 3-(5-fluoro-6-methylpyrimidin-4-yl)sulfanylbutan-2-ol?
The InChIKey is VCPAJEGQARZPMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13FN2OS/c1-5-8(10)9(12-4-11-5)14-7(3)6(2)13/h4,6-7,13H,1-3H3.
What are the key properties of 3-(5-fluoro-6-methylpyrimidin-4-yl)sulfanylbutan-2-ol?
3-(5-fluoro-6-methylpyrimidin-4-yl)sulfanylbutan-2-ol has a molecular weight of 216.28 g/mol, XLogP of 1.79, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-fluoro-6-methylpyrimidin-4-yl)sulfanylbutan-2-ol is sourced from PubChem (CID 103704746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).