2-methylsulfanylpyrimidin-5-ol

C5H6N2OS — CID 588357

IUPAC2-methylsulfanylpyrimidin-5-ol
SMILESCSc1ncc(O)cn1
InChIInChI=1S/C5H6N2OS/c1-9-5-6-2-4(8)3-7-5/h2-3,8H,1H3
InChIKeyVVTBLRLLKIDVKB-UHFFFAOYSA-N
MW142.18 g/mol
LogP0.90
Rot. Bonds1

About 2-methylsulfanylpyrimidin-5-ol

2-methylsulfanylpyrimidin-5-ol (PubChem CID 588357) has the molecular formula C5H6N2OS and a molecular weight of 142.18 g/mol. Its IUPAC name is 2-methylsulfanylpyrimidin-5-ol.

Molecular Properties

Compound Name2-methylsulfanylpyrimidin-5-ol
PubChem CID588357
Molecular FormulaC5H6N2OS
Molecular Weight142.18 g/mol
Exact Mass142.02
IUPAC Name2-methylsulfanylpyrimidin-5-ol
SMILESCSc1ncc(O)cn1
InChIInChI=1S/C5H6N2OS/c1-9-5-6-2-4(8)3-7-5/h2-3,8H,1H3
InChIKeyVVTBLRLLKIDVKB-UHFFFAOYSA-N
XLogP0.90
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.18
LogP ≤ 50.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methylsulfanylpyrimidin-5-ol?
The IUPAC name of 2-methylsulfanylpyrimidin-5-ol (CID 588357) is 2-methylsulfanylpyrimidin-5-ol.
What is the SMILES notation for 2-methylsulfanylpyrimidin-5-ol?
The canonical SMILES for 2-methylsulfanylpyrimidin-5-ol is CSc1ncc(O)cn1.
What is the InChIKey of 2-methylsulfanylpyrimidin-5-ol?
The InChIKey is VVTBLRLLKIDVKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6N2OS/c1-9-5-6-2-4(8)3-7-5/h2-3,8H,1H3.
What are the key properties of 2-methylsulfanylpyrimidin-5-ol?
2-methylsulfanylpyrimidin-5-ol has a molecular weight of 142.18 g/mol, XLogP of 0.90, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylsulfanylpyrimidin-5-ol is sourced from PubChem (CID 588357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).