2-(6-chloro-2-methylpyrimidin-4-yl)sulfanylpropan-1-ol

C8H11ClN2OS — CID 71995792

IUPAC2-(6-chloro-2-methylpyrimidin-4-yl)sulfanylpropan-1-ol
SMILESCc1nc(Cl)cc(SC(C)CO)n1
InChIInChI=1S/C8H11ClN2OS/c1-5(4-12)13-8-3-7(9)10-6(2)11-8/h3,5,12H,4H2,1-2H3
InChIKeyGGSRKCUMASSRLO-UHFFFAOYSA-N
MW218.71 g/mol
LogP1.91
Rot. Bonds3

About 2-(6-chloro-2-methylpyrimidin-4-yl)sulfanylpropan-1-ol

2-(6-chloro-2-methylpyrimidin-4-yl)sulfanylpropan-1-ol (PubChem CID 71995792) has the molecular formula C8H11ClN2OS and a molecular weight of 218.71 g/mol. Its IUPAC name is 2-(6-chloro-2-methylpyrimidin-4-yl)sulfanylpropan-1-ol.

Molecular Properties

Compound Name2-(6-chloro-2-methylpyrimidin-4-yl)sulfanylpropan-1-ol
PubChem CID71995792
Molecular FormulaC8H11ClN2OS
Molecular Weight218.71 g/mol
Exact Mass218.03
IUPAC Name2-(6-chloro-2-methylpyrimidin-4-yl)sulfanylpropan-1-ol
SMILESCc1nc(Cl)cc(SC(C)CO)n1
InChIInChI=1S/C8H11ClN2OS/c1-5(4-12)13-8-3-7(9)10-6(2)11-8/h3,5,12H,4H2,1-2H3
InChIKeyGGSRKCUMASSRLO-UHFFFAOYSA-N
XLogP1.91
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.71
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(6-chloro-2-methylpyrimidin-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-chloro-2-methylpyrimidin-4-yl)sulfanylpropan-1-ol?
The IUPAC name of 2-(6-chloro-2-methylpyrimidin-4-yl)sulfanylpropan-1-ol (CID 71995792) is 2-(6-chloro-2-methylpyrimidin-4-yl)sulfanylpropan-1-ol.
What is the SMILES notation for 2-(6-chloro-2-methylpyrimidin-4-yl)sulfanylpropan-1-ol?
The canonical SMILES for 2-(6-chloro-2-methylpyrimidin-4-yl)sulfanylpropan-1-ol is Cc1nc(Cl)cc(SC(C)CO)n1.
What is the InChIKey of 2-(6-chloro-2-methylpyrimidin-4-yl)sulfanylpropan-1-ol?
The InChIKey is GGSRKCUMASSRLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11ClN2OS/c1-5(4-12)13-8-3-7(9)10-6(2)11-8/h3,5,12H,4H2,1-2H3.
What are the key properties of 2-(6-chloro-2-methylpyrimidin-4-yl)sulfanylpropan-1-ol?
2-(6-chloro-2-methylpyrimidin-4-yl)sulfanylpropan-1-ol has a molecular weight of 218.71 g/mol, XLogP of 1.91, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-chloro-2-methylpyrimidin-4-yl)sulfanylpropan-1-ol is sourced from PubChem (CID 71995792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).