5-fluoro-2-[(2R)-2-pyrimidin-2-ylsulfonylpropyl]pyrimidine

C11H11FN4O2S — CID 163656724

IUPAC5-fluoro-2-[(2R)-2-pyrimidin-2-ylsulfonylpropyl]pyrimidine
SMILESC[C@H](Cc1ncc(F)cn1)S(=O)(=O)c1ncccn1
InChIInChI=1S/C11H11FN4O2S/c1-8(5-10-15-6-9(12)7-16-10)19(17,18)11-13-3-2-4-14-11/h2-4,6-8H,5H2,1H3/t8-/m1/s1
InChIKeyIQVULVHIQHNHCM-MRVPVSSYSA-N
MW282.30 g/mol
LogP0.81
Rot. Bonds4

About 5-fluoro-2-[(2R)-2-pyrimidin-2-ylsulfonylpropyl]pyrimidine

5-fluoro-2-[(2R)-2-pyrimidin-2-ylsulfonylpropyl]pyrimidine (PubChem CID 163656724) has the molecular formula C11H11FN4O2S and a molecular weight of 282.30 g/mol. Its IUPAC name is 5-fluoro-2-[(2R)-2-pyrimidin-2-ylsulfonylpropyl]pyrimidine.

Molecular Properties

Compound Name5-fluoro-2-[(2R)-2-pyrimidin-2-ylsulfonylpropyl]pyrimidine
PubChem CID163656724
Molecular FormulaC11H11FN4O2S
Molecular Weight282.30 g/mol
Exact Mass282.06
IUPAC Name5-fluoro-2-[(2R)-2-pyrimidin-2-ylsulfonylpropyl]pyrimidine
SMILESC[C@H](Cc1ncc(F)cn1)S(=O)(=O)c1ncccn1
InChIInChI=1S/C11H11FN4O2S/c1-8(5-10-15-6-9(12)7-16-10)19(17,18)11-13-3-2-4-14-11/h2-4,6-8H,5H2,1H3/t8-/m1/s1
InChIKeyIQVULVHIQHNHCM-MRVPVSSYSA-N
XLogP0.81
TPSA85.70 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.30
LogP ≤ 50.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-[(2R)-2-pyrimidin-2-ylsulfonylpropyl]pyrimidine?
The IUPAC name of 5-fluoro-2-[(2R)-2-pyrimidin-2-ylsulfonylpropyl]pyrimidine (CID 163656724) is 5-fluoro-2-[(2R)-2-pyrimidin-2-ylsulfonylpropyl]pyrimidine.
What is the SMILES notation for 5-fluoro-2-[(2R)-2-pyrimidin-2-ylsulfonylpropyl]pyrimidine?
The canonical SMILES for 5-fluoro-2-[(2R)-2-pyrimidin-2-ylsulfonylpropyl]pyrimidine is C[C@H](Cc1ncc(F)cn1)S(=O)(=O)c1ncccn1.
What is the InChIKey of 5-fluoro-2-[(2R)-2-pyrimidin-2-ylsulfonylpropyl]pyrimidine?
The InChIKey is IQVULVHIQHNHCM-MRVPVSSYSA-N. The full InChI is InChI=1S/C11H11FN4O2S/c1-8(5-10-15-6-9(12)7-16-10)19(17,18)11-13-3-2-4-14-11/h2-4,6-8H,5H2,1H3/t8-/m1/s1.
What are the key properties of 5-fluoro-2-[(2R)-2-pyrimidin-2-ylsulfonylpropyl]pyrimidine?
5-fluoro-2-[(2R)-2-pyrimidin-2-ylsulfonylpropyl]pyrimidine has a molecular weight of 282.30 g/mol, XLogP of 0.81, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-[(2R)-2-pyrimidin-2-ylsulfonylpropyl]pyrimidine is sourced from PubChem (CID 163656724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).