6-[(2S)-1-(2-methoxy-5-methylphenyl)sulfonylpyrrolidin-2-yl]-N-pyrimidin-2-ylpyrazin-2-amine

C20H22N6O3S — CID 95836293

IUPAC6-[(2S)-1-(2-methoxy-5-methylphenyl)sulfonylpyrrolidin-2-yl]-N-pyrimidin-2-ylpyrazin-2-amine
SMILESCOc1ccc(C)cc1S(=O)(=O)N1CCC[C@H]1c1cncc(Nc2ncccn2)n1
InChIInChI=1S/C20H22N6O3S/c1-14-6-7-17(29-2)18(11-14)30(27,28)26-10-3-5-16(26)15-12-21-13-19(24-15)25-20-22-8-4-9-23-20/h4,6-9,11-13,16H,3,5,10H2,1-2H3,(H,22,23,24,25)/t16-/m0/s1
InChIKeyIKBBBUDTRMLCIQ-INIZCTEOSA-N
MW426.50 g/mol
LogP2.85
Rot. Bonds6

About 6-[(2S)-1-(2-methoxy-5-methylphenyl)sulfonylpyrrolidin-2-yl]-N-pyrimidin-2-ylpyrazin-2-amine

6-[(2S)-1-(2-methoxy-5-methylphenyl)sulfonylpyrrolidin-2-yl]-N-pyrimidin-2-ylpyrazin-2-amine (PubChem CID 95836293) has the molecular formula C20H22N6O3S and a molecular weight of 426.50 g/mol. Its IUPAC name is 6-[(2S)-1-(2-methoxy-5-methylphenyl)sulfonylpyrrolidin-2-yl]-N-pyrimidin-2-ylpyrazin-2-amine.

Molecular Properties

Compound Name6-[(2S)-1-(2-methoxy-5-methylphenyl)sulfonylpyrrolidin-2-yl]-N-pyrimidin-2-ylpyrazin-2-amine
PubChem CID95836293
Molecular FormulaC20H22N6O3S
Molecular Weight426.50 g/mol
Exact Mass426.15
IUPAC Name6-[(2S)-1-(2-methoxy-5-methylphenyl)sulfonylpyrrolidin-2-yl]-N-pyrimidin-2-ylpyrazin-2-amine
SMILESCOc1ccc(C)cc1S(=O)(=O)N1CCC[C@H]1c1cncc(Nc2ncccn2)n1
InChIInChI=1S/C20H22N6O3S/c1-14-6-7-17(29-2)18(11-14)30(27,28)26-10-3-5-16(26)15-12-21-13-19(24-15)25-20-22-8-4-9-23-20/h4,6-9,11-13,16H,3,5,10H2,1-2H3,(H,22,23,24,25)/t16-/m0/s1
InChIKeyIKBBBUDTRMLCIQ-INIZCTEOSA-N
XLogP2.85
TPSA110.20 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.50
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

6-[(2S)-1-(2-methoxy-5-methylphenyl)sulfonylpyrrolidin-2-yl]-N-pyrazin-2-ylpyrazin-2-amine
CID 95836295
6-[(2R)-1-(4-fluorophenyl)sulfonylpyrrolidin-2-yl]-N-pyrimidin-2-ylpyrazin-2-amine
CID 95836223
2-[1-(2-methoxy-5-methylphenyl)sulfonylpyrrolidin-2-yl]-1,3-thiazole
CID 110750417
N-[6-[1-(4-methoxy-2,5-dimethylphenyl)sulfonylpyrrolidin-2-yl]-2-pyridinyl]pyrazin-2-amine
CID 110265405
6-[(2R)-1-(5-fluoro-2-methoxyphenyl)sulfonylpyrrolidin-2-yl]-N-(3-methyl-2-pyridinyl)pyridin-2-amine
CID 95835623
6-[(2S)-1-(benzenesulfonyl)pyrrolidin-2-yl]-N-pyrazin-2-ylpyrazin-2-amine
CID 95836219
(2S)-1-(2-methoxy-5-methylphenyl)sulfonyl-2-(2-methylpyrazol-3-yl)piperidine
CID 164637277
4-[(2S)-1-(2,5-dimethoxyphenyl)sulfonylpyrrolidin-2-yl]pyridine
CID 30747502
4-[1-(4-methoxyphenyl)sulfonylpyrrolidin-2-yl]-N-(5-methyl-2-pyridinyl)pyrimidin-2-amine
CID 110267288
2-(2,6-dimethylphenoxy)-1-[(2S)-2-[6-(pyrimidin-2-ylamino)pyrazin-2-yl]pyrrolidin-1-yl]ethanone
CID 124976398
N-[6-[(2R)-1-(3-fluoro-4-methylphenyl)sulfonylpyrrolidin-2-yl]-2-pyridinyl]pyrimidin-2-amine
CID 95835256
6-[4-[(2-methoxy-4-methylphenyl)methyl]morpholin-2-yl]-N-pyrimidin-2-ylpyrazin-2-amine
CID 127251780

Frequently Asked Questions

What is the IUPAC name of 6-[(2S)-1-(2-methoxy-5-methylphenyl)sulfonylpyrrolidin-2-yl]-N-pyrimidin-2-ylpyrazin-2-amine?
The IUPAC name of 6-[(2S)-1-(2-methoxy-5-methylphenyl)sulfonylpyrrolidin-2-yl]-N-pyrimidin-2-ylpyrazin-2-amine (CID 95836293) is 6-[(2S)-1-(2-methoxy-5-methylphenyl)sulfonylpyrrolidin-2-yl]-N-pyrimidin-2-ylpyrazin-2-amine.
What is the SMILES notation for 6-[(2S)-1-(2-methoxy-5-methylphenyl)sulfonylpyrrolidin-2-yl]-N-pyrimidin-2-ylpyrazin-2-amine?
The canonical SMILES for 6-[(2S)-1-(2-methoxy-5-methylphenyl)sulfonylpyrrolidin-2-yl]-N-pyrimidin-2-ylpyrazin-2-amine is COc1ccc(C)cc1S(=O)(=O)N1CCC[C@H]1c1cncc(Nc2ncccn2)n1.
What is the InChIKey of 6-[(2S)-1-(2-methoxy-5-methylphenyl)sulfonylpyrrolidin-2-yl]-N-pyrimidin-2-ylpyrazin-2-amine?
The InChIKey is IKBBBUDTRMLCIQ-INIZCTEOSA-N. The full InChI is InChI=1S/C20H22N6O3S/c1-14-6-7-17(29-2)18(11-14)30(27,28)26-10-3-5-16(26)15-12-21-13-19(24-15)25-20-22-8-4-9-23-20/h4,6-9,11-13,16H,3,5,10H2,1-2H3,(H,22,23,24,25)/t16-/m0/s1.
What are the key properties of 6-[(2S)-1-(2-methoxy-5-methylphenyl)sulfonylpyrrolidin-2-yl]-N-pyrimidin-2-ylpyrazin-2-amine?
6-[(2S)-1-(2-methoxy-5-methylphenyl)sulfonylpyrrolidin-2-yl]-N-pyrimidin-2-ylpyrazin-2-amine has a molecular weight of 426.50 g/mol, XLogP of 2.85, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2S)-1-(2-methoxy-5-methylphenyl)sulfonylpyrrolidin-2-yl]-N-pyrimidin-2-ylpyrazin-2-amine is sourced from PubChem (CID 95836293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).