4-chloro-6-[(R)-[(3R)-pyrrolidin-3-yl]sulfinyl]pyrimidine

C8H10ClN3OS — CID 97164004

IUPAC4-chloro-6-[(R)-[(3R)-pyrrolidin-3-yl]sulfinyl]pyrimidine
SMILESO=[S@@](c1cc(Cl)ncn1)[C@@H]1CCNC1
InChIInChI=1S/C8H10ClN3OS/c9-7-3-8(12-5-11-7)14(13)6-1-2-10-4-6/h3,5-6,10H,1-2,4H2/t6-,14-/m1/s1
InChIKeyZLMHYQBGYDWIGI-RWBAJPLHSA-N
MW231.71 g/mol
LogP0.60
Rot. Bonds2

About 4-chloro-6-[(R)-[(3R)-pyrrolidin-3-yl]sulfinyl]pyrimidine

4-chloro-6-[(R)-[(3R)-pyrrolidin-3-yl]sulfinyl]pyrimidine (PubChem CID 97164004) has the molecular formula C8H10ClN3OS and a molecular weight of 231.71 g/mol. Its IUPAC name is 4-chloro-6-[(R)-[(3R)-pyrrolidin-3-yl]sulfinyl]pyrimidine.

Molecular Properties

Compound Name4-chloro-6-[(R)-[(3R)-pyrrolidin-3-yl]sulfinyl]pyrimidine
PubChem CID97164004
Molecular FormulaC8H10ClN3OS
Molecular Weight231.71 g/mol
Exact Mass231.02
IUPAC Name4-chloro-6-[(R)-[(3R)-pyrrolidin-3-yl]sulfinyl]pyrimidine
SMILESO=[S@@](c1cc(Cl)ncn1)[C@@H]1CCNC1
InChIInChI=1S/C8H10ClN3OS/c9-7-3-8(12-5-11-7)14(13)6-1-2-10-4-6/h3,5-6,10H,1-2,4H2/t6-,14-/m1/s1
InChIKeyZLMHYQBGYDWIGI-RWBAJPLHSA-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

4-chloro-6-[(S)-[(3S)-pyrrolidin-3-yl]methylsulfinyl]pyrimidine
CID 97164027
3-chloro-6-[(S)-[(3R)-pyrrolidin-3-yl]sulfinyl]pyridazine
CID 97163648
5-chloro-2-[(R)-[(3S)-pyrrolidin-3-yl]sulfinyl]pyrimidine
CID 97163703
2-[(3R)-pyrrolidin-3-yl]sulfinylpyridine;hydrochloride
CID 71645428
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-[(S)-[(3S)-pyrrolidin-3-yl]sulfinyl]quinoxaline
CID 97165847
2-[(3R)-pyrrolidin-3-yl]sulfinylquinoxaline;hydrochloride
CID 71645432
2-chloro-4-[(S)-[(3R)-piperidin-3-yl]sulfinyl]pyrimidine
CID 97163773
3-methyl-6-[(R)-[(3S)-pyrrolidin-3-yl]sulfinyl]pyridazine;hydrochloride
CID 170987729
5-fluoro-2-pyrrolidin-3-ylsulfinylpyrimidine
CID 71643553

Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-[(R)-[(3R)-pyrrolidin-3-yl]sulfinyl]pyrimidine?
The IUPAC name of 4-chloro-6-[(R)-[(3R)-pyrrolidin-3-yl]sulfinyl]pyrimidine (CID 97164004) is 4-chloro-6-[(R)-[(3R)-pyrrolidin-3-yl]sulfinyl]pyrimidine.
What is the SMILES notation for 4-chloro-6-[(R)-[(3R)-pyrrolidin-3-yl]sulfinyl]pyrimidine?
The canonical SMILES for 4-chloro-6-[(R)-[(3R)-pyrrolidin-3-yl]sulfinyl]pyrimidine is O=[S@@](c1cc(Cl)ncn1)[C@@H]1CCNC1.
What is the InChIKey of 4-chloro-6-[(R)-[(3R)-pyrrolidin-3-yl]sulfinyl]pyrimidine?
The InChIKey is ZLMHYQBGYDWIGI-RWBAJPLHSA-N. The full InChI is InChI=1S/C8H10ClN3OS/c9-7-3-8(12-5-11-7)14(13)6-1-2-10-4-6/h3,5-6,10H,1-2,4H2/t6-,14-/m1/s1.
What are the key properties of 4-chloro-6-[(R)-[(3R)-pyrrolidin-3-yl]sulfinyl]pyrimidine?
4-chloro-6-[(R)-[(3R)-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 4-chloro-6-[(R)-[(3R)-pyrrolidin-3-yl]sulfinyl]pyrimidine is sourced from PubChem (CID 97164004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).