5-chloro-2-[(2S)-2-methylsulfonylpropyl]pyrimidine

C8H11ClN2O2S — CID 134535202

IUPAC5-chloro-2-[(2S)-2-methylsulfonylpropyl]pyrimidine
SMILESC[C@@H](Cc1ncc(Cl)cn1)S(C)(=O)=O
InChIInChI=1S/C8H11ClN2O2S/c1-6(14(2,12)13)3-8-10-4-7(9)5-11-8/h4-6H,3H2,1-2H3/t6-/m0/s1
InChIKeyYIARWIGOEZAJKL-LURJTMIESA-N
MW234.71 g/mol
LogP1.11
Rot. Bonds3

About 5-chloro-2-[(2S)-2-methylsulfonylpropyl]pyrimidine

5-chloro-2-[(2S)-2-methylsulfonylpropyl]pyrimidine (PubChem CID 134535202) has the molecular formula C8H11ClN2O2S and a molecular weight of 234.71 g/mol. Its IUPAC name is 5-chloro-2-[(2S)-2-methylsulfonylpropyl]pyrimidine.

Molecular Properties

Compound Name5-chloro-2-[(2S)-2-methylsulfonylpropyl]pyrimidine
PubChem CID134535202
Molecular FormulaC8H11ClN2O2S
Molecular Weight234.71 g/mol
Exact Mass234.02
IUPAC Name5-chloro-2-[(2S)-2-methylsulfonylpropyl]pyrimidine
SMILESC[C@@H](Cc1ncc(Cl)cn1)S(C)(=O)=O
InChIInChI=1S/C8H11ClN2O2S/c1-6(14(2,12)13)3-8-10-4-7(9)5-11-8/h4-6H,3H2,1-2H3/t6-/m0/s1
InChIKeyYIARWIGOEZAJKL-LURJTMIESA-N
XLogP1.11
TPSA59.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.71
LogP ≤ 51.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-[(2S)-2-methylsulfonylpropyl]pyrimidine?
The IUPAC name of 5-chloro-2-[(2S)-2-methylsulfonylpropyl]pyrimidine (CID 134535202) is 5-chloro-2-[(2S)-2-methylsulfonylpropyl]pyrimidine.
What is the SMILES notation for 5-chloro-2-[(2S)-2-methylsulfonylpropyl]pyrimidine?
The canonical SMILES for 5-chloro-2-[(2S)-2-methylsulfonylpropyl]pyrimidine is C[C@@H](Cc1ncc(Cl)cn1)S(C)(=O)=O.
What is the InChIKey of 5-chloro-2-[(2S)-2-methylsulfonylpropyl]pyrimidine?
The InChIKey is YIARWIGOEZAJKL-LURJTMIESA-N. The full InChI is InChI=1S/C8H11ClN2O2S/c1-6(14(2,12)13)3-8-10-4-7(9)5-11-8/h4-6H,3H2,1-2H3/t6-/m0/s1.
What are the key properties of 5-chloro-2-[(2S)-2-methylsulfonylpropyl]pyrimidine?
5-chloro-2-[(2S)-2-methylsulfonylpropyl]pyrimidine has a molecular weight of 234.71 g/mol, XLogP of 1.11, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-[(2S)-2-methylsulfonylpropyl]pyrimidine is sourced from PubChem (CID 134535202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).