2-(6-ethyl-5-fluoropyrimidin-4-yl)sulfanylpropan-1-ol

C9H13FN2OS — CID 103880287

IUPAC2-(6-ethyl-5-fluoropyrimidin-4-yl)sulfanylpropan-1-ol
SMILESCCc1ncnc(SC(C)CO)c1F
InChIInChI=1S/C9H13FN2OS/c1-3-7-8(10)9(12-5-11-7)14-6(2)4-13/h5-6,13H,3-4H2,1-2H3
InChIKeyKNYHQXRAJJDKRY-UHFFFAOYSA-N
MW216.28 g/mol
LogP1.65
Rot. Bonds4

About 2-(6-ethyl-5-fluoropyrimidin-4-yl)sulfanylpropan-1-ol

2-(6-ethyl-5-fluoropyrimidin-4-yl)sulfanylpropan-1-ol (PubChem CID 103880287) has the molecular formula C9H13FN2OS and a molecular weight of 216.28 g/mol. Its IUPAC name is 2-(6-ethyl-5-fluoropyrimidin-4-yl)sulfanylpropan-1-ol.

Molecular Properties

Compound Name2-(6-ethyl-5-fluoropyrimidin-4-yl)sulfanylpropan-1-ol
PubChem CID103880287
Molecular FormulaC9H13FN2OS
Molecular Weight216.28 g/mol
Exact Mass216.07
IUPAC Name2-(6-ethyl-5-fluoropyrimidin-4-yl)sulfanylpropan-1-ol
SMILESCCc1ncnc(SC(C)CO)c1F
InChIInChI=1S/C9H13FN2OS/c1-3-7-8(10)9(12-5-11-7)14-6(2)4-13/h5-6,13H,3-4H2,1-2H3
InChIKeyKNYHQXRAJJDKRY-UHFFFAOYSA-N
XLogP1.65
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.28
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(6-ethyl-5-fluoropyrimidin-4-yl)sulfanylpropan-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 2-(6-ethyl-5-fluoropyrimidin-4-yl)sulfanylpropan-1-ol?
The IUPAC name of 2-(6-ethyl-5-fluoropyrimidin-4-yl)sulfanylpropan-1-ol (CID 103880287) is 2-(6-ethyl-5-fluoropyrimidin-4-yl)sulfanylpropan-1-ol.
What is the SMILES notation for 2-(6-ethyl-5-fluoropyrimidin-4-yl)sulfanylpropan-1-ol?
The canonical SMILES for 2-(6-ethyl-5-fluoropyrimidin-4-yl)sulfanylpropan-1-ol is CCc1ncnc(SC(C)CO)c1F.
What is the InChIKey of 2-(6-ethyl-5-fluoropyrimidin-4-yl)sulfanylpropan-1-ol?
The InChIKey is KNYHQXRAJJDKRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13FN2OS/c1-3-7-8(10)9(12-5-11-7)14-6(2)4-13/h5-6,13H,3-4H2,1-2H3.
What are the key properties of 2-(6-ethyl-5-fluoropyrimidin-4-yl)sulfanylpropan-1-ol?
2-(6-ethyl-5-fluoropyrimidin-4-yl)sulfanylpropan-1-ol has a molecular weight of 216.28 g/mol, XLogP of 1.65, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-ethyl-5-fluoropyrimidin-4-yl)sulfanylpropan-1-ol is sourced from PubChem (CID 103880287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).