N-[6-[(2S)-1-(3-fluoro-4-methylphenyl)sulfonylpyrrolidin-2-yl]-2-pyridinyl]-4,6-dimethylpyrimidin-2-amine

C22H24FN5O2S — CID 95835259

IUPACN-[6-[(2S)-1-(3-fluoro-4-methylphenyl)sulfonylpyrrolidin-2-yl]-2-pyridinyl]-4,6-dimethylpyrimidin-2-amine
SMILESCc1cc(C)nc(Nc2cccc([C@@H]3CCCN3S(=O)(=O)c3ccc(C)c(F)c3)n2)n1
InChIInChI=1S/C22H24FN5O2S/c1-14-9-10-17(13-18(14)23)31(29,30)28-11-5-7-20(28)19-6-4-8-21(26-19)27-22-24-15(2)12-16(3)25-22/h4,6,8-10,12-13,20H,5,7,11H2,1-3H3,(H,24,25,26,27)/t20-/m0/s1
InChIKeyVCWAKZGMZIDOQF-FQEVSTJZSA-N
MW441.53 g/mol
LogP4.21
Rot. Bonds5

About N-[6-[(2S)-1-(3-fluoro-4-methylphenyl)sulfonylpyrrolidin-2-yl]-2-pyridinyl]-4,6-dimethylpyrimidin-2-amine

N-[6-[(2S)-1-(3-fluoro-4-methylphenyl)sulfonylpyrrolidin-2-yl]-2-pyridinyl]-4,6-dimethylpyrimidin-2-amine (PubChem CID 95835259) has the molecular formula C22H24FN5O2S and a molecular weight of 441.53 g/mol. Its IUPAC name is N-[6-[(2S)-1-(3-fluoro-4-methylphenyl)sulfonylpyrrolidin-2-yl]-2-pyridinyl]-4,6-dimethylpyrimidin-2-amine.

Molecular Properties

Compound NameN-[6-[(2S)-1-(3-fluoro-4-methylphenyl)sulfonylpyrrolidin-2-yl]-2-pyridinyl]-4,6-dimethylpyrimidin-2-amine
PubChem CID95835259
Molecular FormulaC22H24FN5O2S
Molecular Weight441.53 g/mol
Exact Mass441.16
IUPAC NameN-[6-[(2S)-1-(3-fluoro-4-methylphenyl)sulfonylpyrrolidin-2-yl]-2-pyridinyl]-4,6-dimethylpyrimidin-2-amine
SMILESCc1cc(C)nc(Nc2cccc([C@@H]3CCCN3S(=O)(=O)c3ccc(C)c(F)c3)n2)n1
InChIInChI=1S/C22H24FN5O2S/c1-14-9-10-17(13-18(14)23)31(29,30)28-11-5-7-20(28)19-6-4-8-21(26-19)27-22-24-15(2)12-16(3)25-22/h4,6,8-10,12-13,20H,5,7,11H2,1-3H3,(H,24,25,26,27)/t20-/m0/s1
InChIKeyVCWAKZGMZIDOQF-FQEVSTJZSA-N
XLogP4.21
TPSA88.08 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.53
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[6-[(2S)-1-(3-fluoro-4-methylphenyl)sulfonylpyrrolidin-2-yl]-2-pyridinyl]-4,6-dimethylpyrimidin-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[6-[(2R)-1-(3-fluoro-4-methylphenyl)sulfonylpyrrolidin-2-yl]-2-pyridinyl]pyrimidin-2-amine
CID 95835256
6-[(2R)-1-(3-fluoro-4-methylphenyl)sulfonylpyrrolidin-2-yl]-N-(6-methyl-2-pyridinyl)pyrazin-2-amine
CID 95836266
4,6-dimethyl-N-[6-[(2S)-1-(2-phenylethylsulfonyl)pyrrolidin-2-yl]-2-pyridinyl]pyrimidin-2-amine
CID 95835808
N-[6-[1-(4-fluoro-3-methylphenyl)sulfonylpiperidin-3-yl]-2-pyridinyl]pyrimidin-2-amine
CID 110265538
N-[2-[1-(benzenesulfonyl)pyrrolidin-2-yl]-6-methyl-4-pyridinyl]-4,6-dimethylpyrimidin-2-amine
CID 110262789
N,N-dimethyl-2-[6-(pyrimidin-2-ylamino)-2-pyridinyl]pyrrolidine-1-sulfonamide
CID 110265114
6-[(2R)-1-(5-fluoro-2-methoxyphenyl)sulfonylpyrrolidin-2-yl]-N-(3-methyl-2-pyridinyl)pyridin-2-amine
CID 95835623
6-[1-(3-fluorophenyl)sulfonylpyrrolidin-2-yl]-N-methylpyrazin-2-amine
CID 118740204
6-[(2R)-1-(4-fluorophenyl)sulfonylpyrrolidin-2-yl]-N-pyrimidin-2-ylpyrazin-2-amine
CID 95836223
(3S)-3-[6-[(4,6-dimethylpyrimidin-2-yl)amino]-2-pyridinyl]-N,N-dimethylpiperidine-1-sulfonamide
CID 95835947
N-[6-[(2S)-1-(4-methoxyphenyl)sulfonylpyrrolidin-2-yl]-3-pyridinyl]-4,6-dimethylpyrimidin-2-amine
CID 95813322
3-(4-chlorophenyl)-5-[(2R)-1-(3-fluoro-4-methylphenyl)sulfonylpyrrolidin-2-yl]-1,2,4-oxadiazole
CID 95116737

Frequently Asked Questions

What is the IUPAC name of N-[6-[(2S)-1-(3-fluoro-4-methylphenyl)sulfonylpyrrolidin-2-yl]-2-pyridinyl]-4,6-dimethylpyrimidin-2-amine?
The IUPAC name of N-[6-[(2S)-1-(3-fluoro-4-methylphenyl)sulfonylpyrrolidin-2-yl]-2-pyridinyl]-4,6-dimethylpyrimidin-2-amine (CID 95835259) is N-[6-[(2S)-1-(3-fluoro-4-methylphenyl)sulfonylpyrrolidin-2-yl]-2-pyridinyl]-4,6-dimethylpyrimidin-2-amine.
What is the SMILES notation for N-[6-[(2S)-1-(3-fluoro-4-methylphenyl)sulfonylpyrrolidin-2-yl]-2-pyridinyl]-4,6-dimethylpyrimidin-2-amine?
The canonical SMILES for N-[6-[(2S)-1-(3-fluoro-4-methylphenyl)sulfonylpyrrolidin-2-yl]-2-pyridinyl]-4,6-dimethylpyrimidin-2-amine is Cc1cc(C)nc(Nc2cccc([C@@H]3CCCN3S(=O)(=O)c3ccc(C)c(F)c3)n2)n1.
What is the InChIKey of N-[6-[(2S)-1-(3-fluoro-4-methylphenyl)sulfonylpyrrolidin-2-yl]-2-pyridinyl]-4,6-dimethylpyrimidin-2-amine?
The InChIKey is VCWAKZGMZIDOQF-FQEVSTJZSA-N. The full InChI is InChI=1S/C22H24FN5O2S/c1-14-9-10-17(13-18(14)23)31(29,30)28-11-5-7-20(28)19-6-4-8-21(26-19)27-22-24-15(2)12-16(3)25-22/h4,6,8-10,12-13,20H,5,7,11H2,1-3H3,(H,24,25,26,27)/t20-/m0/s1.
What are the key properties of N-[6-[(2S)-1-(3-fluoro-4-methylphenyl)sulfonylpyrrolidin-2-yl]-2-pyridinyl]-4,6-dimethylpyrimidin-2-amine?
N-[6-[(2S)-1-(3-fluoro-4-methylphenyl)sulfonylpyrrolidin-2-yl]-2-pyridinyl]-4,6-dimethylpyrimidin-2-amine has a molecular weight of 441.53 g/mol, XLogP of 4.21, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[(2S)-1-(3-fluoro-4-methylphenyl)sulfonylpyrrolidin-2-yl]-2-pyridinyl]-4,6-dimethylpyrimidin-2-amine is sourced from PubChem (CID 95835259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).