4,6-dimethyl-2-[(3S)-pyrrolidin-3-yl]sulfonylpyrimidine

C10H15N3O2S — CID 71638314

IUPAC4,6-dimethyl-2-[(3S)-pyrrolidin-3-yl]sulfonylpyrimidine
SMILESCc1cc(C)nc(S(=O)(=O)[C@H]2CCNC2)n1
InChIInChI=1S/C10H15N3O2S/c1-7-5-8(2)13-10(12-7)16(14,15)9-3-4-11-6-9/h5,9,11H,3-4,6H2,1-2H3/t9-/m0/s1
InChIKeyOUYNKENLYLFCKL-VIFPVBQESA-N
MW241.32 g/mol
LogP0.23
Rot. Bonds2

About 4,6-dimethyl-2-[(3S)-pyrrolidin-3-yl]sulfonylpyrimidine

4,6-dimethyl-2-[(3S)-pyrrolidin-3-yl]sulfonylpyrimidine (PubChem CID 71638314) has the molecular formula C10H15N3O2S and a molecular weight of 241.32 g/mol. Its IUPAC name is 4,6-dimethyl-2-[(3S)-pyrrolidin-3-yl]sulfonylpyrimidine.

Molecular Properties

Compound Name4,6-dimethyl-2-[(3S)-pyrrolidin-3-yl]sulfonylpyrimidine
PubChem CID71638314
Molecular FormulaC10H15N3O2S
Molecular Weight241.32 g/mol
Exact Mass241.09
IUPAC Name4,6-dimethyl-2-[(3S)-pyrrolidin-3-yl]sulfonylpyrimidine
SMILESCc1cc(C)nc(S(=O)(=O)[C@H]2CCNC2)n1
InChIInChI=1S/C10H15N3O2S/c1-7-5-8(2)13-10(12-7)16(14,15)9-3-4-11-6-9/h5,9,11H,3-4,6H2,1-2H3/t9-/m0/s1
InChIKeyOUYNKENLYLFCKL-VIFPVBQESA-N
XLogP0.23
TPSA71.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.32
LogP ≤ 50.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-chloro-6-methyl-2-[(3R)-pyrrolidin-3-yl]sulfonylpyrimidine;hydrochloride
CID 71639162
4-chloro-6-methyl-2-piperidin-3-ylsulfonylpyrimidine;hydrochloride
CID 71639166
(3R)-3-(4-methylphenyl)sulfonylpyrrolidine
CID 7016814
4-methyl-3-[(3R)-pyrrolidin-3-yl]sulfonyl-1,2,4-triazole
CID 97301297
2-bromo-6-[(3S)-pyrrolidin-3-yl]sulfonylpyridine
CID 71636402
4,6-dimethyl-2-pyrrolidin-3-ylsulfanylpyrimidine
CID 62328980
3-methyl-6-[(3S)-piperidin-3-yl]sulfonylpyridazine
CID 97162930
2-piperidin-3-ylsulfonylpyrimidine
CID 71645525
4,6-dimethyl-2-[(3S)-pyrrolidin-3-yl]sulfanylpyrimidine;hydrochloride
CID 71638426
2-chloro-4-[(3R)-pyrrolidin-3-yl]sulfonylpyrimidine;hydrochloride
CID 71640189
3-(2,4-dichlorophenyl)sulfonylpyrrolidine
CID 118797295
2-pyrrolidin-3-ylsulfonylpyrazine;hydrochloride
CID 71645544

Frequently Asked Questions

What is the IUPAC name of 4,6-dimethyl-2-[(3S)-pyrrolidin-3-yl]sulfonylpyrimidine?
The IUPAC name of 4,6-dimethyl-2-[(3S)-pyrrolidin-3-yl]sulfonylpyrimidine (CID 71638314) is 4,6-dimethyl-2-[(3S)-pyrrolidin-3-yl]sulfonylpyrimidine.
What is the SMILES notation for 4,6-dimethyl-2-[(3S)-pyrrolidin-3-yl]sulfonylpyrimidine?
The canonical SMILES for 4,6-dimethyl-2-[(3S)-pyrrolidin-3-yl]sulfonylpyrimidine is Cc1cc(C)nc(S(=O)(=O)[C@H]2CCNC2)n1.
What is the InChIKey of 4,6-dimethyl-2-[(3S)-pyrrolidin-3-yl]sulfonylpyrimidine?
The InChIKey is OUYNKENLYLFCKL-VIFPVBQESA-N. The full InChI is InChI=1S/C10H15N3O2S/c1-7-5-8(2)13-10(12-7)16(14,15)9-3-4-11-6-9/h5,9,11H,3-4,6H2,1-2H3/t9-/m0/s1.
What are the key properties of 4,6-dimethyl-2-[(3S)-pyrrolidin-3-yl]sulfonylpyrimidine?
4,6-dimethyl-2-[(3S)-pyrrolidin-3-yl]sulfonylpyrimidine has a molecular weight of 241.32 g/mol, XLogP of 0.23, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dimethyl-2-[(3S)-pyrrolidin-3-yl]sulfonylpyrimidine is sourced from PubChem (CID 71638314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).