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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Related Compounds

1-(2-methylsulfonylpyrimidin-4-yl)ethanamine
CID 84670120
2-amino-2-(2-methylsulfonylpyrimidin-4-yl)acetic acid
CID 84694364
(2S)-2-amino-2-pyridin-2-ylethanol
CID 55278064
4-(dimethoxymethyl)-2-methylsulfonylpyrimidine;2-methylsulfonylpyrimidine-4-carbaldehyde
CID 162222851
(2S,4S)-4-amino-4-(2-methylsulfonyl-4-pyridinyl)butane-1,2-diol
CID 68653266
(2R)-2-amino-2-pyridin-2-ylethanol;hydrochloride
CID 86306039
2-methylsulfonyl-4-phenoxypyrimidine
CID 15405455
1-isoquinolin-1-yl-3-methylsulfonylpropan-1-amine
CID 63950264
1-(2-methylpyrimidin-4-yl)-4-methylsulfonylbutan-1-amine
CID 115530121
4-chloro-2-methylsulfonylpyrimidine;4-chloropyrimidin-2-amine
CID 159327142
(2S)-2-amino-2-[4-(hydroxymethyl)-2-pyridinyl]ethanol
CID 55262518
(2R)-2-amino-2-(4-methylsulfonylphenyl)ethanol;hydrochloride
CID 142503487

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).