2-(4,6-dimethylpyrimidin-2-yl)sulfanylethanol

C8H12N2OS — CID 587836

IUPAC2-(4,6-dimethylpyrimidin-2-yl)sulfanylethanol
SMILESCc1cc(C)nc(SCCO)n1
InChIInChI=1S/C8H12N2OS/c1-6-5-7(2)10-8(9-6)12-4-3-11/h5,11H,3-4H2,1-2H3
InChIKeyDSRGZRHOYJEVPF-UHFFFAOYSA-N
MW184.26 g/mol
LogP1.18
Rot. Bonds3

About 2-(4,6-dimethylpyrimidin-2-yl)sulfanylethanol

2-(4,6-dimethylpyrimidin-2-yl)sulfanylethanol (PubChem CID 587836) has the molecular formula C8H12N2OS and a molecular weight of 184.26 g/mol. Its IUPAC name is 2-(4,6-dimethylpyrimidin-2-yl)sulfanylethanol.

Molecular Properties

Compound Name2-(4,6-dimethylpyrimidin-2-yl)sulfanylethanol
PubChem CID587836
Molecular FormulaC8H12N2OS
Molecular Weight184.26 g/mol
Exact Mass184.07
IUPAC Name2-(4,6-dimethylpyrimidin-2-yl)sulfanylethanol
SMILESCc1cc(C)nc(SCCO)n1
InChIInChI=1S/C8H12N2OS/c1-6-5-7(2)10-8(9-6)12-4-3-11/h5,11H,3-4H2,1-2H3
InChIKeyDSRGZRHOYJEVPF-UHFFFAOYSA-N
XLogP1.18
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.26
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4,6-dimethylpyrimidin-2-yl)sulfanylethanol?
The IUPAC name of 2-(4,6-dimethylpyrimidin-2-yl)sulfanylethanol (CID 587836) is 2-(4,6-dimethylpyrimidin-2-yl)sulfanylethanol.
What is the SMILES notation for 2-(4,6-dimethylpyrimidin-2-yl)sulfanylethanol?
The canonical SMILES for 2-(4,6-dimethylpyrimidin-2-yl)sulfanylethanol is Cc1cc(C)nc(SCCO)n1.
What is the InChIKey of 2-(4,6-dimethylpyrimidin-2-yl)sulfanylethanol?
The InChIKey is DSRGZRHOYJEVPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2OS/c1-6-5-7(2)10-8(9-6)12-4-3-11/h5,11H,3-4H2,1-2H3.
What are the key properties of 2-(4,6-dimethylpyrimidin-2-yl)sulfanylethanol?
2-(4,6-dimethylpyrimidin-2-yl)sulfanylethanol has a molecular weight of 184.26 g/mol, XLogP of 1.18, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,6-dimethylpyrimidin-2-yl)sulfanylethanol is sourced from PubChem (CID 587836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).