5-chloro-2-[(R)-[(3S)-pyrrolidin-3-yl]sulfinyl]pyrimidine

C8H10ClN3OS — CID 97163703

IUPAC5-chloro-2-[(R)-[(3S)-pyrrolidin-3-yl]sulfinyl]pyrimidine
SMILESO=[S@@](c1ncc(Cl)cn1)[C@H]1CCNC1
InChIInChI=1S/C8H10ClN3OS/c9-6-3-11-8(12-4-6)14(13)7-1-2-10-5-7/h3-4,7,10H,1-2,5H2/t7-,14+/m0/s1
InChIKeyOYIIOFOUWRKLCE-JKYUHCHBSA-N
MW231.71 g/mol
LogP0.60
Rot. Bonds2

About 5-chloro-2-[(R)-[(3S)-pyrrolidin-3-yl]sulfinyl]pyrimidine

5-chloro-2-[(R)-[(3S)-pyrrolidin-3-yl]sulfinyl]pyrimidine (PubChem CID 97163703) has the molecular formula C8H10ClN3OS and a molecular weight of 231.71 g/mol. Its IUPAC name is 5-chloro-2-[(R)-[(3S)-pyrrolidin-3-yl]sulfinyl]pyrimidine.

Molecular Properties

Compound Name5-chloro-2-[(R)-[(3S)-pyrrolidin-3-yl]sulfinyl]pyrimidine
PubChem CID97163703
Molecular FormulaC8H10ClN3OS
Molecular Weight231.71 g/mol
Exact Mass231.02
IUPAC Name5-chloro-2-[(R)-[(3S)-pyrrolidin-3-yl]sulfinyl]pyrimidine
SMILESO=[S@@](c1ncc(Cl)cn1)[C@H]1CCNC1
InChIInChI=1S/C8H10ClN3OS/c9-6-3-11-8(12-4-6)14(13)7-1-2-10-5-7/h3-4,7,10H,1-2,5H2/t7-,14+/m0/s1
InChIKeyOYIIOFOUWRKLCE-JKYUHCHBSA-N
XLogP0.60
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.71
LogP ≤ 50.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-fluoro-2-pyrrolidin-3-ylsulfinylpyrimidine
CID 71643553
2-[(S)-[(3S)-piperidin-3-yl]sulfinyl]pyrimidine
CID 97166117
4-chloro-6-[(R)-[(3R)-pyrrolidin-3-yl]sulfinyl]pyrimidine
CID 97164004
4-methyl-2-[(3S)-pyrrolidin-3-yl]sulfinylpyrimidine
CID 71638989
4-chloro-5-methyl-2-[(S)-piperidin-4-ylsulfinyl]pyrimidine
CID 97162641
4-methyl-2-[(3R)-pyrrolidin-3-yl]sulfinylpyrimidine
CID 71638987
5-chloro-2-(piperidin-3-ylmethylsulfinyl)pyrimidine
CID 71640119
2-[(S)-[(3R)-pyrrolidin-3-yl]sulfinyl]pyrazine;hydrochloride
CID 170987699
2-[(R)-[(3S)-pyrrolidin-3-yl]sulfinyl]pyrazine;hydrochloride
CID 170987689
3-chloro-6-[(S)-[(3R)-pyrrolidin-3-yl]sulfinyl]pyridazine
CID 97163648
5-methyl-2-[(3R)-pyrrolidin-3-yl]sulfinylpyridine
CID 71638683
2-methyl-3-[(3R)-pyrrolidin-3-yl]sulfinylpyrazine
CID 71638192

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-[(R)-[(3S)-pyrrolidin-3-yl]sulfinyl]pyrimidine?
The IUPAC name of 5-chloro-2-[(R)-[(3S)-pyrrolidin-3-yl]sulfinyl]pyrimidine (CID 97163703) is 5-chloro-2-[(R)-[(3S)-pyrrolidin-3-yl]sulfinyl]pyrimidine.
What is the SMILES notation for 5-chloro-2-[(R)-[(3S)-pyrrolidin-3-yl]sulfinyl]pyrimidine?
The canonical SMILES for 5-chloro-2-[(R)-[(3S)-pyrrolidin-3-yl]sulfinyl]pyrimidine is O=[S@@](c1ncc(Cl)cn1)[C@H]1CCNC1.
What is the InChIKey of 5-chloro-2-[(R)-[(3S)-pyrrolidin-3-yl]sulfinyl]pyrimidine?
The InChIKey is OYIIOFOUWRKLCE-JKYUHCHBSA-N. The full InChI is InChI=1S/C8H10ClN3OS/c9-6-3-11-8(12-4-6)14(13)7-1-2-10-5-7/h3-4,7,10H,1-2,5H2/t7-,14+/m0/s1.
What are the key properties of 5-chloro-2-[(R)-[(3S)-pyrrolidin-3-yl]sulfinyl]pyrimidine?
5-chloro-2-[(R)-[(3S)-pyrrolidin-3-yl]sulfinyl]pyrimidine has a molecular weight of 231.71 g/mol, XLogP of 0.60, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-[(R)-[(3S)-pyrrolidin-3-yl]sulfinyl]pyrimidine is sourced from PubChem (CID 97163703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).