2-[[4-chloro-6-(methylsulfonylmethyl)pyrimidin-2-yl]amino]ethanol

C8H12ClN3O3S — CID 145410023

IUPAC2-[[4-chloro-6-(methylsulfonylmethyl)pyrimidin-2-yl]amino]ethanol
SMILESCS(=O)(=O)Cc1cc(Cl)nc(NCCO)n1
InChIInChI=1S/C8H12ClN3O3S/c1-16(14,15)5-6-4-7(9)12-8(11-6)10-2-3-13/h4,13H,2-3,5H2,1H3,(H,10,11,12)
InChIKeyXTAJQOIMFNTXQD-UHFFFAOYSA-N
MW265.72 g/mol
LogP0.08
Rot. Bonds5

About 2-[[4-chloro-6-(methylsulfonylmethyl)pyrimidin-2-yl]amino]ethanol

2-[[4-chloro-6-(methylsulfonylmethyl)pyrimidin-2-yl]amino]ethanol (PubChem CID 145410023) has the molecular formula C8H12ClN3O3S and a molecular weight of 265.72 g/mol. Its IUPAC name is 2-[[4-chloro-6-(methylsulfonylmethyl)pyrimidin-2-yl]amino]ethanol.

Molecular Properties

Compound Name2-[[4-chloro-6-(methylsulfonylmethyl)pyrimidin-2-yl]amino]ethanol
PubChem CID145410023
Molecular FormulaC8H12ClN3O3S
Molecular Weight265.72 g/mol
Exact Mass265.03
IUPAC Name2-[[4-chloro-6-(methylsulfonylmethyl)pyrimidin-2-yl]amino]ethanol
SMILESCS(=O)(=O)Cc1cc(Cl)nc(NCCO)n1
InChIInChI=1S/C8H12ClN3O3S/c1-16(14,15)5-6-4-7(9)12-8(11-6)10-2-3-13/h4,13H,2-3,5H2,1H3,(H,10,11,12)
InChIKeyXTAJQOIMFNTXQD-UHFFFAOYSA-N
XLogP0.08
TPSA92.18 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.72
LogP ≤ 50.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-[4-Chloro-6-[fluoro(methylsulfonyl)methyl]pyrimidin-2-yl]morpholine
CID 121428588
3-[(4-Chloro-6-methylpyrimidin-2-yl)amino]-2-propylsulfonylprop-2-enenitrile
CID 3774551
2,4-Dichloro-6-[(isopropylsulfonyl)methyl]pyrimidine
CID 57427660
2-[(4-Chloro-6-methylpyrimidin-2-yl)amino]ethan-1-ol
CID 85844173
2-[[2-Chloro-6-(methylsulfonylmethyl)pyrimidin-4-yl]amino]ethanol
CID 87287394
(4-Chloro-6-methyl-pyrimidin-2-yl)-(2-methoxy-ethyl)-amine
CID 94672674
4-[4-Chloro-6-[(methylsulfonyl)methyl]-2-pyrimidinyl]morpholine
CID 121428426
3-[(4-Chloro-6-methylpyrimidin-2-yl)amino]propan-1-ol
CID 130009236
(3S)-4-[4-chloro-6-(propan-2-ylsulfonylmethyl)pyrimidin-2-yl]-3-methylmorpholine
CID 132012947
4-[4-Chloro-6-(ethylsulfonylmethyl)pyrimidin-2-yl]morpholine
CID 132037259
(3S)-4-[4-chloro-6-(methylsulfonylmethyl)pyrimidin-2-yl]-3-ethylmorpholine
CID 155737424
4-[(4-Chloro-6-methylpyrimidin-2-yl)amino]butan-1-ol
CID 172731095

Frequently Asked Questions

What is the IUPAC name of 2-[[4-chloro-6-(methylsulfonylmethyl)pyrimidin-2-yl]amino]ethanol?
The IUPAC name of 2-[[4-chloro-6-(methylsulfonylmethyl)pyrimidin-2-yl]amino]ethanol (CID 145410023) is 2-[[4-chloro-6-(methylsulfonylmethyl)pyrimidin-2-yl]amino]ethanol.
What is the SMILES notation for 2-[[4-chloro-6-(methylsulfonylmethyl)pyrimidin-2-yl]amino]ethanol?
The canonical SMILES for 2-[[4-chloro-6-(methylsulfonylmethyl)pyrimidin-2-yl]amino]ethanol is CS(=O)(=O)Cc1cc(Cl)nc(NCCO)n1.
What is the InChIKey of 2-[[4-chloro-6-(methylsulfonylmethyl)pyrimidin-2-yl]amino]ethanol?
The InChIKey is XTAJQOIMFNTXQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12ClN3O3S/c1-16(14,15)5-6-4-7(9)12-8(11-6)10-2-3-13/h4,13H,2-3,5H2,1H3,(H,10,11,12).
What are the key properties of 2-[[4-chloro-6-(methylsulfonylmethyl)pyrimidin-2-yl]amino]ethanol?
2-[[4-chloro-6-(methylsulfonylmethyl)pyrimidin-2-yl]amino]ethanol has a molecular weight of 265.72 g/mol, XLogP of 0.08, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-chloro-6-(methylsulfonylmethyl)pyrimidin-2-yl]amino]ethanol is sourced from PubChem (CID 145410023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).