2-amino-2-(2-methylsulfonylpyrimidin-4-yl)ethanol

C7H11N3O3S — CID 84682670

IUPAC2-amino-2-(2-methylsulfonylpyrimidin-4-yl)ethanol
SMILESCS(=O)(=O)c1nccc(C(N)CO)n1
InChIInChI=1S/C7H11N3O3S/c1-14(12,13)7-9-3-2-6(10-7)5(8)4-11/h2-3,5,11H,4,8H2,1H3
InChIKeyURTXDVUMAGAMHP-UHFFFAOYSA-N
MW217.25 g/mol
LogP-1.13
Rot. Bonds3

About 2-amino-2-(2-methylsulfonylpyrimidin-4-yl)ethanol

2-amino-2-(2-methylsulfonylpyrimidin-4-yl)ethanol (PubChem CID 84682670) has the molecular formula C7H11N3O3S and a molecular weight of 217.25 g/mol. Its IUPAC name is 2-amino-2-(2-methylsulfonylpyrimidin-4-yl)ethanol.

Molecular Properties

Compound Name2-amino-2-(2-methylsulfonylpyrimidin-4-yl)ethanol
PubChem CID84682670
Molecular FormulaC7H11N3O3S
Molecular Weight217.25 g/mol
Exact Mass217.05
IUPAC Name2-amino-2-(2-methylsulfonylpyrimidin-4-yl)ethanol
SMILESCS(=O)(=O)c1nccc(C(N)CO)n1
InChIInChI=1S/C7H11N3O3S/c1-14(12,13)7-9-3-2-6(10-7)5(8)4-11/h2-3,5,11H,4,8H2,1H3
InChIKeyURTXDVUMAGAMHP-UHFFFAOYSA-N
XLogP-1.13
TPSA106.17 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.25
LogP ≤ 5-1.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-amino-2-(2-methylsulfonylpyrimidin-4-yl)ethanol?
The IUPAC name of 2-amino-2-(2-methylsulfonylpyrimidin-4-yl)ethanol (CID 84682670) is 2-amino-2-(2-methylsulfonylpyrimidin-4-yl)ethanol.
What is the SMILES notation for 2-amino-2-(2-methylsulfonylpyrimidin-4-yl)ethanol?
The canonical SMILES for 2-amino-2-(2-methylsulfonylpyrimidin-4-yl)ethanol is CS(=O)(=O)c1nccc(C(N)CO)n1.
What is the InChIKey of 2-amino-2-(2-methylsulfonylpyrimidin-4-yl)ethanol?
The InChIKey is URTXDVUMAGAMHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N3O3S/c1-14(12,13)7-9-3-2-6(10-7)5(8)4-11/h2-3,5,11H,4,8H2,1H3.
What are the key properties of 2-amino-2-(2-methylsulfonylpyrimidin-4-yl)ethanol?
2-amino-2-(2-methylsulfonylpyrimidin-4-yl)ethanol has a molecular weight of 217.25 g/mol, XLogP of -1.13, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-(2-methylsulfonylpyrimidin-4-yl)ethanol is sourced from PubChem (CID 84682670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).