(2-methylsulfanylpyrimidin-5-yl)methanol

C6H8N2OS — CID 22050485

IUPAC(2-methylsulfanylpyrimidin-5-yl)methanol
SMILESCSc1ncc(CO)cn1
InChIInChI=1S/C6H8N2OS/c1-10-6-7-2-5(4-9)3-8-6/h2-3,9H,4H2,1H3
InChIKeyZEIJWLQVULZDCE-UHFFFAOYSA-N
MW156.21 g/mol
LogP0.69
Rot. Bonds2

About (2-methylsulfanylpyrimidin-5-yl)methanol

(2-methylsulfanylpyrimidin-5-yl)methanol (PubChem CID 22050485) has the molecular formula C6H8N2OS and a molecular weight of 156.21 g/mol. Its IUPAC name is (2-methylsulfanylpyrimidin-5-yl)methanol.

Molecular Properties

Compound Name(2-methylsulfanylpyrimidin-5-yl)methanol
PubChem CID22050485
Molecular FormulaC6H8N2OS
Molecular Weight156.21 g/mol
Exact Mass156.04
IUPAC Name(2-methylsulfanylpyrimidin-5-yl)methanol
SMILESCSc1ncc(CO)cn1
InChIInChI=1S/C6H8N2OS/c1-10-6-7-2-5(4-9)3-8-6/h2-3,9H,4H2,1H3
InChIKeyZEIJWLQVULZDCE-UHFFFAOYSA-N
XLogP0.69
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.21
LogP ≤ 50.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2-methylsulfanylpyrimidin-5-yl)methanol?
The IUPAC name of (2-methylsulfanylpyrimidin-5-yl)methanol (CID 22050485) is (2-methylsulfanylpyrimidin-5-yl)methanol.
What is the SMILES notation for (2-methylsulfanylpyrimidin-5-yl)methanol?
The canonical SMILES for (2-methylsulfanylpyrimidin-5-yl)methanol is CSc1ncc(CO)cn1.
What is the InChIKey of (2-methylsulfanylpyrimidin-5-yl)methanol?
The InChIKey is ZEIJWLQVULZDCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N2OS/c1-10-6-7-2-5(4-9)3-8-6/h2-3,9H,4H2,1H3.
What are the key properties of (2-methylsulfanylpyrimidin-5-yl)methanol?
(2-methylsulfanylpyrimidin-5-yl)methanol has a molecular weight of 156.21 g/mol, XLogP of 0.69, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methylsulfanylpyrimidin-5-yl)methanol is sourced from PubChem (CID 22050485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).