5-fluoro-2-pyrrolidin-3-ylsulfinylpyrimidine

C8H10FN3OS — CID 71643553

IUPAC5-fluoro-2-pyrrolidin-3-ylsulfinylpyrimidine
SMILESO=S(c1ncc(F)cn1)C1CCNC1
InChIInChI=1S/C8H10FN3OS/c9-6-3-11-8(12-4-6)14(13)7-1-2-10-5-7/h3-4,7,10H,1-2,5H2
InChIKeyZBFCACTXJNXKPG-UHFFFAOYSA-N
MW215.25 g/mol
LogP0.09
Rot. Bonds2

About 5-fluoro-2-pyrrolidin-3-ylsulfinylpyrimidine

5-fluoro-2-pyrrolidin-3-ylsulfinylpyrimidine (PubChem CID 71643553) has the molecular formula C8H10FN3OS and a molecular weight of 215.25 g/mol. Its IUPAC name is 5-fluoro-2-pyrrolidin-3-ylsulfinylpyrimidine.

Molecular Properties

Compound Name5-fluoro-2-pyrrolidin-3-ylsulfinylpyrimidine
PubChem CID71643553
Molecular FormulaC8H10FN3OS
Molecular Weight215.25 g/mol
Exact Mass215.05
IUPAC Name5-fluoro-2-pyrrolidin-3-ylsulfinylpyrimidine
SMILESO=S(c1ncc(F)cn1)C1CCNC1
InChIInChI=1S/C8H10FN3OS/c9-6-3-11-8(12-4-6)14(13)7-1-2-10-5-7/h3-4,7,10H,1-2,5H2
InChIKeyZBFCACTXJNXKPG-UHFFFAOYSA-N
XLogP0.09
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.25
LogP ≤ 50.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-chloro-2-[(R)-[(3S)-pyrrolidin-3-yl]sulfinyl]pyrimidine
CID 97163703
2-[(S)-[(3S)-piperidin-3-yl]sulfinyl]pyrimidine
CID 97166117
4-methyl-2-[(3S)-pyrrolidin-3-yl]sulfinylpyrimidine
CID 71638989
4-methyl-2-[(3R)-pyrrolidin-3-yl]sulfinylpyrimidine
CID 71638987
2-[(S)-[(3R)-pyrrolidin-3-yl]sulfinyl]pyrazine;hydrochloride
CID 170987699
2-[(R)-[(3S)-pyrrolidin-3-yl]sulfinyl]pyrazine;hydrochloride
CID 170987689
5-methyl-2-[(3R)-pyrrolidin-3-yl]sulfinylpyridine
CID 71638683
2-methyl-3-[(3R)-pyrrolidin-3-yl]sulfinylpyrazine
CID 71638192
2-[(S)-[(3S)-pyrrolidin-3-yl]sulfinyl]quinoxaline
CID 97165847
3-(benzenesulfinyl)pyrrolidine
CID 84666467
2-[(3R)-pyrrolidin-3-yl]sulfinyl-1,3-thiazole;hydrochloride
CID 71645438
2-[(3S)-pyrrolidin-3-yl]sulfinyl-1,3-thiazole;hydrochloride
CID 71645460

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-pyrrolidin-3-ylsulfinylpyrimidine?
The IUPAC name of 5-fluoro-2-pyrrolidin-3-ylsulfinylpyrimidine (CID 71643553) is 5-fluoro-2-pyrrolidin-3-ylsulfinylpyrimidine.
What is the SMILES notation for 5-fluoro-2-pyrrolidin-3-ylsulfinylpyrimidine?
The canonical SMILES for 5-fluoro-2-pyrrolidin-3-ylsulfinylpyrimidine is O=S(c1ncc(F)cn1)C1CCNC1.
What is the InChIKey of 5-fluoro-2-pyrrolidin-3-ylsulfinylpyrimidine?
The InChIKey is ZBFCACTXJNXKPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10FN3OS/c9-6-3-11-8(12-4-6)14(13)7-1-2-10-5-7/h3-4,7,10H,1-2,5H2.
What are the key properties of 5-fluoro-2-pyrrolidin-3-ylsulfinylpyrimidine?
5-fluoro-2-pyrrolidin-3-ylsulfinylpyrimidine has a molecular weight of 215.25 g/mol, XLogP of 0.09, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-pyrrolidin-3-ylsulfinylpyrimidine is sourced from PubChem (CID 71643553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).