4,6-dimethyl-N-[6-[(2S)-1-(2-phenylethylsulfonyl)pyrrolidin-2-yl]-2-pyridinyl]pyrimidin-2-amine

C23H27N5O2S — CID 95835808

IUPAC4,6-dimethyl-N-[6-[(2S)-1-(2-phenylethylsulfonyl)pyrrolidin-2-yl]-2-pyridinyl]pyrimidin-2-amine
SMILESCc1cc(C)nc(Nc2cccc([C@@H]3CCCN3S(=O)(=O)CCc3ccccc3)n2)n1
InChIInChI=1S/C23H27N5O2S/c1-17-16-18(2)25-23(24-17)27-22-12-6-10-20(26-22)21-11-7-14-28(21)31(29,30)15-13-19-8-4-3-5-9-19/h3-6,8-10,12,16,21H,7,11,13-15H2,1-2H3,(H,24,25,26,27)/t21-/m0/s1
InChIKeyMTRDGFUAMIXFPK-NRFANRHFSA-N
MW437.57 g/mol
LogP3.94
Rot. Bonds7

About 4,6-dimethyl-N-[6-[(2S)-1-(2-phenylethylsulfonyl)pyrrolidin-2-yl]-2-pyridinyl]pyrimidin-2-amine

4,6-dimethyl-N-[6-[(2S)-1-(2-phenylethylsulfonyl)pyrrolidin-2-yl]-2-pyridinyl]pyrimidin-2-amine (PubChem CID 95835808) has the molecular formula C23H27N5O2S and a molecular weight of 437.57 g/mol. Its IUPAC name is 4,6-dimethyl-N-[6-[(2S)-1-(2-phenylethylsulfonyl)pyrrolidin-2-yl]-2-pyridinyl]pyrimidin-2-amine.

Molecular Properties

Compound Name4,6-dimethyl-N-[6-[(2S)-1-(2-phenylethylsulfonyl)pyrrolidin-2-yl]-2-pyridinyl]pyrimidin-2-amine
PubChem CID95835808
Molecular FormulaC23H27N5O2S
Molecular Weight437.57 g/mol
Exact Mass437.19
IUPAC Name4,6-dimethyl-N-[6-[(2S)-1-(2-phenylethylsulfonyl)pyrrolidin-2-yl]-2-pyridinyl]pyrimidin-2-amine
SMILESCc1cc(C)nc(Nc2cccc([C@@H]3CCCN3S(=O)(=O)CCc3ccccc3)n2)n1
InChIInChI=1S/C23H27N5O2S/c1-17-16-18(2)25-23(24-17)27-22-12-6-10-20(26-22)21-11-7-14-28(21)31(29,30)15-13-19-8-4-3-5-9-19/h3-6,8-10,12,16,21H,7,11,13-15H2,1-2H3,(H,24,25,26,27)/t21-/m0/s1
InChIKeyMTRDGFUAMIXFPK-NRFANRHFSA-N
XLogP3.94
TPSA88.08 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.57
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 4,6-dimethyl-N-[6-[(2S)-1-(2-phenylethylsulfonyl)pyrrolidin-2-yl]-2-pyridinyl]pyrimidin-2-amine with MolForge

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Related Compounds

6-[(2R)-1-(2-phenylethylsulfonyl)pyrrolidin-2-yl]-N-pyridin-2-ylpyrazin-2-amine
CID 95836399
N-[6-[(2S)-1-(3-fluoro-4-methylphenyl)sulfonylpyrrolidin-2-yl]-2-pyridinyl]-4,6-dimethylpyrimidin-2-amine
CID 95835259
N,N-dimethyl-2-[6-(pyrimidin-2-ylamino)-2-pyridinyl]pyrrolidine-1-sulfonamide
CID 110265114
1-[(2S)-2-[6-[(4,6-dimethylpyrimidin-2-yl)amino]-2-pyridinyl]pyrrolidin-1-yl]-2-(3-methoxyphenyl)ethanone
CID 95835184
4,6-dimethyl-N-[6-(1-methylsulfonylpiperidin-4-yl)-2-pyridinyl]pyrimidin-2-amine
CID 110093805
N-[2-[1-(benzenesulfonyl)pyrrolidin-2-yl]-6-methyl-4-pyridinyl]-4,6-dimethylpyrimidin-2-amine
CID 110262789
(3S)-3-[6-[(4,6-dimethylpyrimidin-2-yl)amino]-2-pyridinyl]-N,N-dimethylpiperidine-1-sulfonamide
CID 95835947
N-[6-[(2R)-1-(3-fluoro-4-methylphenyl)sulfonylpyrrolidin-2-yl]-2-pyridinyl]pyrimidin-2-amine
CID 95835256
[(2R)-2-[6-[(4,6-dimethylpyrimidin-2-yl)amino]-2-pyridinyl]pyrrolidin-1-yl]-(2-ethyl-4-methyl-1,3-oxazol-5-yl)methanone
CID 95835820
2-[(2S)-1-(2-phenylethylsulfonyl)pyrrolidin-2-yl]-1H-pyrrole
CID 96545725
6-(1-benzylsulfonylpyrrolidin-2-yl)-N-methylpyrazin-2-amine
CID 127246933
methyl 1-(2-phenylethylsulfonyl)pyrrolidine-2-carboxylate
CID 43624427

Frequently Asked Questions

What is the IUPAC name of 4,6-dimethyl-N-[6-[(2S)-1-(2-phenylethylsulfonyl)pyrrolidin-2-yl]-2-pyridinyl]pyrimidin-2-amine?
The IUPAC name of 4,6-dimethyl-N-[6-[(2S)-1-(2-phenylethylsulfonyl)pyrrolidin-2-yl]-2-pyridinyl]pyrimidin-2-amine (CID 95835808) is 4,6-dimethyl-N-[6-[(2S)-1-(2-phenylethylsulfonyl)pyrrolidin-2-yl]-2-pyridinyl]pyrimidin-2-amine.
What is the SMILES notation for 4,6-dimethyl-N-[6-[(2S)-1-(2-phenylethylsulfonyl)pyrrolidin-2-yl]-2-pyridinyl]pyrimidin-2-amine?
The canonical SMILES for 4,6-dimethyl-N-[6-[(2S)-1-(2-phenylethylsulfonyl)pyrrolidin-2-yl]-2-pyridinyl]pyrimidin-2-amine is Cc1cc(C)nc(Nc2cccc([C@@H]3CCCN3S(=O)(=O)CCc3ccccc3)n2)n1.
What is the InChIKey of 4,6-dimethyl-N-[6-[(2S)-1-(2-phenylethylsulfonyl)pyrrolidin-2-yl]-2-pyridinyl]pyrimidin-2-amine?
The InChIKey is MTRDGFUAMIXFPK-NRFANRHFSA-N. The full InChI is InChI=1S/C23H27N5O2S/c1-17-16-18(2)25-23(24-17)27-22-12-6-10-20(26-22)21-11-7-14-28(21)31(29,30)15-13-19-8-4-3-5-9-19/h3-6,8-10,12,16,21H,7,11,13-15H2,1-2H3,(H,24,25,26,27)/t21-/m0/s1.
What are the key properties of 4,6-dimethyl-N-[6-[(2S)-1-(2-phenylethylsulfonyl)pyrrolidin-2-yl]-2-pyridinyl]pyrimidin-2-amine?
4,6-dimethyl-N-[6-[(2S)-1-(2-phenylethylsulfonyl)pyrrolidin-2-yl]-2-pyridinyl]pyrimidin-2-amine has a molecular weight of 437.57 g/mol, XLogP of 3.94, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dimethyl-N-[6-[(2S)-1-(2-phenylethylsulfonyl)pyrrolidin-2-yl]-2-pyridinyl]pyrimidin-2-amine is sourced from PubChem (CID 95835808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).