N-[6-[(2R)-1-(3-fluoro-4-methylphenyl)sulfonylpyrrolidin-2-yl]-2-pyridinyl]pyrimidin-2-amine

C20H20FN5O2S — CID 95835256

IUPACN-[6-[(2R)-1-(3-fluoro-4-methylphenyl)sulfonylpyrrolidin-2-yl]-2-pyridinyl]pyrimidin-2-amine
SMILESCc1ccc(S(=O)(=O)N2CCC[C@@H]2c2cccc(Nc3ncccn3)n2)cc1F
InChIInChI=1S/C20H20FN5O2S/c1-14-8-9-15(13-16(14)21)29(27,28)26-12-3-6-18(26)17-5-2-7-19(24-17)25-20-22-10-4-11-23-20/h2,4-5,7-11,13,18H,3,6,12H2,1H3,(H,22,23,24,25)/t18-/m1/s1
InChIKeyUIVNXCXXEGILAR-GOSISDBHSA-N
MW413.48 g/mol
LogP3.59
Rot. Bonds5

About N-[6-[(2R)-1-(3-fluoro-4-methylphenyl)sulfonylpyrrolidin-2-yl]-2-pyridinyl]pyrimidin-2-amine

N-[6-[(2R)-1-(3-fluoro-4-methylphenyl)sulfonylpyrrolidin-2-yl]-2-pyridinyl]pyrimidin-2-amine (PubChem CID 95835256) has the molecular formula C20H20FN5O2S and a molecular weight of 413.48 g/mol. Its IUPAC name is N-[6-[(2R)-1-(3-fluoro-4-methylphenyl)sulfonylpyrrolidin-2-yl]-2-pyridinyl]pyrimidin-2-amine.

Molecular Properties

Compound NameN-[6-[(2R)-1-(3-fluoro-4-methylphenyl)sulfonylpyrrolidin-2-yl]-2-pyridinyl]pyrimidin-2-amine
PubChem CID95835256
Molecular FormulaC20H20FN5O2S
Molecular Weight413.48 g/mol
Exact Mass413.13
IUPAC NameN-[6-[(2R)-1-(3-fluoro-4-methylphenyl)sulfonylpyrrolidin-2-yl]-2-pyridinyl]pyrimidin-2-amine
SMILESCc1ccc(S(=O)(=O)N2CCC[C@@H]2c2cccc(Nc3ncccn3)n2)cc1F
InChIInChI=1S/C20H20FN5O2S/c1-14-8-9-15(13-16(14)21)29(27,28)26-12-3-6-18(26)17-5-2-7-19(24-17)25-20-22-10-4-11-23-20/h2,4-5,7-11,13,18H,3,6,12H2,1H3,(H,22,23,24,25)/t18-/m1/s1
InChIKeyUIVNXCXXEGILAR-GOSISDBHSA-N
XLogP3.59
TPSA88.08 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.48
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[6-[(2R)-1-(3-fluoro-4-methylphenyl)sulfonylpyrrolidin-2-yl]-2-pyridinyl]pyrimidin-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-[(2S)-1-(3-fluoro-4-methylphenyl)sulfonylpyrrolidin-2-yl]-2-pyridinyl]-4,6-dimethylpyrimidin-2-amine
CID 95835259
6-[(2R)-1-(3-fluoro-4-methylphenyl)sulfonylpyrrolidin-2-yl]-N-(6-methyl-2-pyridinyl)pyrazin-2-amine
CID 95836266
N,N-dimethyl-2-[6-(pyrimidin-2-ylamino)-2-pyridinyl]pyrrolidine-1-sulfonamide
CID 110265114
N-[6-[1-(4-fluoro-3-methylphenyl)sulfonylpiperidin-3-yl]-2-pyridinyl]pyrimidin-2-amine
CID 110265538
6-[(2R)-1-(4-fluorophenyl)sulfonylpyrrolidin-2-yl]-N-pyrimidin-2-ylpyrazin-2-amine
CID 95836223
6-[(2R)-1-(5-fluoro-2-methoxyphenyl)sulfonylpyrrolidin-2-yl]-N-(3-methyl-2-pyridinyl)pyridin-2-amine
CID 95835623
N-[6-[1-(3-fluoro-4-methylphenyl)sulfonylpiperidin-4-yl]-2-pyridinyl]-1,3-thiazol-2-amine
CID 155985087
6-[1-(3-fluorophenyl)sulfonylpyrrolidin-2-yl]-N-methylpyrazin-2-amine
CID 118740204
N-[6-[1-(4-methoxy-2,5-dimethylphenyl)sulfonylpyrrolidin-2-yl]-2-pyridinyl]pyrazin-2-amine
CID 110265405
N-[6-[1-(2,2-dimethylpropyl)pyrrolidin-2-yl]-2-pyridinyl]pyrimidin-2-amine
CID 110265076
6-[(2S)-1-(4-fluorophenyl)sulfonylpyrrolidin-2-yl]-N,2-dimethylpyrimidin-4-amine
CID 125000616
[1-(3-fluoro-4-methylphenyl)sulfonylpyrrolidin-2-yl]methanol
CID 61409059

Frequently Asked Questions

What is the IUPAC name of N-[6-[(2R)-1-(3-fluoro-4-methylphenyl)sulfonylpyrrolidin-2-yl]-2-pyridinyl]pyrimidin-2-amine?
The IUPAC name of N-[6-[(2R)-1-(3-fluoro-4-methylphenyl)sulfonylpyrrolidin-2-yl]-2-pyridinyl]pyrimidin-2-amine (CID 95835256) is N-[6-[(2R)-1-(3-fluoro-4-methylphenyl)sulfonylpyrrolidin-2-yl]-2-pyridinyl]pyrimidin-2-amine.
What is the SMILES notation for N-[6-[(2R)-1-(3-fluoro-4-methylphenyl)sulfonylpyrrolidin-2-yl]-2-pyridinyl]pyrimidin-2-amine?
The canonical SMILES for N-[6-[(2R)-1-(3-fluoro-4-methylphenyl)sulfonylpyrrolidin-2-yl]-2-pyridinyl]pyrimidin-2-amine is Cc1ccc(S(=O)(=O)N2CCC[C@@H]2c2cccc(Nc3ncccn3)n2)cc1F.
What is the InChIKey of N-[6-[(2R)-1-(3-fluoro-4-methylphenyl)sulfonylpyrrolidin-2-yl]-2-pyridinyl]pyrimidin-2-amine?
The InChIKey is UIVNXCXXEGILAR-GOSISDBHSA-N. The full InChI is InChI=1S/C20H20FN5O2S/c1-14-8-9-15(13-16(14)21)29(27,28)26-12-3-6-18(26)17-5-2-7-19(24-17)25-20-22-10-4-11-23-20/h2,4-5,7-11,13,18H,3,6,12H2,1H3,(H,22,23,24,25)/t18-/m1/s1.
What are the key properties of N-[6-[(2R)-1-(3-fluoro-4-methylphenyl)sulfonylpyrrolidin-2-yl]-2-pyridinyl]pyrimidin-2-amine?
N-[6-[(2R)-1-(3-fluoro-4-methylphenyl)sulfonylpyrrolidin-2-yl]-2-pyridinyl]pyrimidin-2-amine has a molecular weight of 413.48 g/mol, XLogP of 3.59, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[(2R)-1-(3-fluoro-4-methylphenyl)sulfonylpyrrolidin-2-yl]-2-pyridinyl]pyrimidin-2-amine is sourced from PubChem (CID 95835256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).