3-methylsulfonyl-1-pyrimidin-2-ylpropan-1-ol

C8H12N2O3S — CID 62608221

IUPAC3-methylsulfonyl-1-pyrimidin-2-ylpropan-1-ol
SMILESCS(=O)(=O)CCC(O)c1ncccn1
InChIInChI=1S/C8H12N2O3S/c1-14(12,13)6-3-7(11)8-9-4-2-5-10-8/h2,4-5,7,11H,3,6H2,1H3
InChIKeyZYAVTJVQGLMOJW-UHFFFAOYSA-N
MW216.26 g/mol
LogP-0.06
Rot. Bonds4

About 3-methylsulfonyl-1-pyrimidin-2-ylpropan-1-ol

3-methylsulfonyl-1-pyrimidin-2-ylpropan-1-ol (PubChem CID 62608221) has the molecular formula C8H12N2O3S and a molecular weight of 216.26 g/mol. Its IUPAC name is 3-methylsulfonyl-1-pyrimidin-2-ylpropan-1-ol.

Molecular Properties

Compound Name3-methylsulfonyl-1-pyrimidin-2-ylpropan-1-ol
PubChem CID62608221
Molecular FormulaC8H12N2O3S
Molecular Weight216.26 g/mol
Exact Mass216.06
IUPAC Name3-methylsulfonyl-1-pyrimidin-2-ylpropan-1-ol
SMILESCS(=O)(=O)CCC(O)c1ncccn1
InChIInChI=1S/C8H12N2O3S/c1-14(12,13)6-3-7(11)8-9-4-2-5-10-8/h2,4-5,7,11H,3,6H2,1H3
InChIKeyZYAVTJVQGLMOJW-UHFFFAOYSA-N
XLogP-0.06
TPSA80.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.26
LogP ≤ 5-0.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-methylsulfonyl-1-pyrimidin-2-ylpropan-1-ol?
The IUPAC name of 3-methylsulfonyl-1-pyrimidin-2-ylpropan-1-ol (CID 62608221) is 3-methylsulfonyl-1-pyrimidin-2-ylpropan-1-ol.
What is the SMILES notation for 3-methylsulfonyl-1-pyrimidin-2-ylpropan-1-ol?
The canonical SMILES for 3-methylsulfonyl-1-pyrimidin-2-ylpropan-1-ol is CS(=O)(=O)CCC(O)c1ncccn1.
What is the InChIKey of 3-methylsulfonyl-1-pyrimidin-2-ylpropan-1-ol?
The InChIKey is ZYAVTJVQGLMOJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O3S/c1-14(12,13)6-3-7(11)8-9-4-2-5-10-8/h2,4-5,7,11H,3,6H2,1H3.
What are the key properties of 3-methylsulfonyl-1-pyrimidin-2-ylpropan-1-ol?
3-methylsulfonyl-1-pyrimidin-2-ylpropan-1-ol has a molecular weight of 216.26 g/mol, XLogP of -0.06, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methylsulfonyl-1-pyrimidin-2-ylpropan-1-ol is sourced from PubChem (CID 62608221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).