5-fluoro-2-[(2R,3S)-3-methylsulfonylbutan-2-yl]pyrimidine

C9H13FN2O2S — CID 126560646

IUPAC5-fluoro-2-[(2R,3S)-3-methylsulfonylbutan-2-yl]pyrimidine
SMILESC[C@H](c1ncc(F)cn1)[C@H](C)S(C)(=O)=O
InChIInChI=1S/C9H13FN2O2S/c1-6(7(2)15(3,13)14)9-11-4-8(10)5-12-9/h4-7H,1-3H3/t6-,7-/m0/s1
InChIKeyCUYVPKQIJHTKGQ-BQBZGAKWSA-N
MW232.28 g/mol
LogP1.15
Rot. Bonds3

About 5-fluoro-2-[(2R,3S)-3-methylsulfonylbutan-2-yl]pyrimidine

5-fluoro-2-[(2R,3S)-3-methylsulfonylbutan-2-yl]pyrimidine (PubChem CID 126560646) has the molecular formula C9H13FN2O2S and a molecular weight of 232.28 g/mol. Its IUPAC name is 5-fluoro-2-[(2R,3S)-3-methylsulfonylbutan-2-yl]pyrimidine.

Molecular Properties

Compound Name5-fluoro-2-[(2R,3S)-3-methylsulfonylbutan-2-yl]pyrimidine
PubChem CID126560646
Molecular FormulaC9H13FN2O2S
Molecular Weight232.28 g/mol
Exact Mass232.07
IUPAC Name5-fluoro-2-[(2R,3S)-3-methylsulfonylbutan-2-yl]pyrimidine
SMILESC[C@H](c1ncc(F)cn1)[C@H](C)S(C)(=O)=O
InChIInChI=1S/C9H13FN2O2S/c1-6(7(2)15(3,13)14)9-11-4-8(10)5-12-9/h4-7H,1-3H3/t6-,7-/m0/s1
InChIKeyCUYVPKQIJHTKGQ-BQBZGAKWSA-N
XLogP1.15
TPSA59.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.28
LogP ≤ 51.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-[(2R,3S)-3-methylsulfonylbutan-2-yl]pyrimidine?
The IUPAC name of 5-fluoro-2-[(2R,3S)-3-methylsulfonylbutan-2-yl]pyrimidine (CID 126560646) is 5-fluoro-2-[(2R,3S)-3-methylsulfonylbutan-2-yl]pyrimidine.
What is the SMILES notation for 5-fluoro-2-[(2R,3S)-3-methylsulfonylbutan-2-yl]pyrimidine?
The canonical SMILES for 5-fluoro-2-[(2R,3S)-3-methylsulfonylbutan-2-yl]pyrimidine is C[C@H](c1ncc(F)cn1)[C@H](C)S(C)(=O)=O.
What is the InChIKey of 5-fluoro-2-[(2R,3S)-3-methylsulfonylbutan-2-yl]pyrimidine?
The InChIKey is CUYVPKQIJHTKGQ-BQBZGAKWSA-N. The full InChI is InChI=1S/C9H13FN2O2S/c1-6(7(2)15(3,13)14)9-11-4-8(10)5-12-9/h4-7H,1-3H3/t6-,7-/m0/s1.
What are the key properties of 5-fluoro-2-[(2R,3S)-3-methylsulfonylbutan-2-yl]pyrimidine?
5-fluoro-2-[(2R,3S)-3-methylsulfonylbutan-2-yl]pyrimidine has a molecular weight of 232.28 g/mol, XLogP of 1.15, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-[(2R,3S)-3-methylsulfonylbutan-2-yl]pyrimidine is sourced from PubChem (CID 126560646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).