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

C22H25N5O3S — CID 95813322

IUPACN-[6-[(2S)-1-(4-methoxyphenyl)sulfonylpyrrolidin-2-yl]-3-pyridinyl]-4,6-dimethylpyrimidin-2-amine
SMILESCOc1ccc(S(=O)(=O)N2CCC[C@H]2c2ccc(Nc3nc(C)cc(C)n3)cn2)cc1
InChIInChI=1S/C22H25N5O3S/c1-15-13-16(2)25-22(24-15)26-17-6-11-20(23-14-17)21-5-4-12-27(21)31(28,29)19-9-7-18(30-3)8-10-19/h6-11,13-14,21H,4-5,12H2,1-3H3,(H,24,25,26)/t21-/m0/s1
InChIKeyYEXLIDVOUFBZSR-NRFANRHFSA-N
MW439.54 g/mol
LogP3.77
Rot. Bonds6

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

N-[6-[(2S)-1-(4-methoxyphenyl)sulfonylpyrrolidin-2-yl]-3-pyridinyl]-4,6-dimethylpyrimidin-2-amine (PubChem CID 95813322) has the molecular formula C22H25N5O3S and a molecular weight of 439.54 g/mol. Its IUPAC name is N-[6-[(2S)-1-(4-methoxyphenyl)sulfonylpyrrolidin-2-yl]-3-pyridinyl]-4,6-dimethylpyrimidin-2-amine.

Molecular Properties

Compound NameN-[6-[(2S)-1-(4-methoxyphenyl)sulfonylpyrrolidin-2-yl]-3-pyridinyl]-4,6-dimethylpyrimidin-2-amine
PubChem CID95813322
Molecular FormulaC22H25N5O3S
Molecular Weight439.54 g/mol
Exact Mass439.17
IUPAC NameN-[6-[(2S)-1-(4-methoxyphenyl)sulfonylpyrrolidin-2-yl]-3-pyridinyl]-4,6-dimethylpyrimidin-2-amine
SMILESCOc1ccc(S(=O)(=O)N2CCC[C@H]2c2ccc(Nc3nc(C)cc(C)n3)cn2)cc1
InChIInChI=1S/C22H25N5O3S/c1-15-13-16(2)25-22(24-15)26-17-6-11-20(23-14-17)21-5-4-12-27(21)31(28,29)19-9-7-18(30-3)8-10-19/h6-11,13-14,21H,4-5,12H2,1-3H3,(H,24,25,26)/t21-/m0/s1
InChIKeyYEXLIDVOUFBZSR-NRFANRHFSA-N
XLogP3.77
TPSA97.31 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.54
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-[2-[5-[(4,6-dimethylpyrimidin-2-yl)amino]-2-pyridinyl]pyrrolidin-1-yl]-N-(4-methoxyphenyl)acetamide
CID 110252149
N-[2-[1-(benzenesulfonyl)pyrrolidin-2-yl]-6-methyl-4-pyridinyl]-4,6-dimethylpyrimidin-2-amine
CID 110262789
N-(5-fluoro-2-pyridinyl)-6-[1-(4-methoxy-3-methylphenyl)sulfonylpyrrolidin-2-yl]pyridin-3-amine
CID 110252228
4-[1-(4-methoxyphenyl)sulfonylpyrrolidin-2-yl]-N-(5-methyl-2-pyridinyl)pyrimidin-2-amine
CID 110267288
2-[1-(4-methoxyphenyl)sulfonylpyrrolidin-2-yl]-5-methyl-1H-imidazole
CID 110104512
5-[1-(4-methoxyphenyl)sulfonylpyrrolidin-2-yl]-3-methyl-1,2-oxazole
CID 50809291
N-[4-[(2S)-1-(4-methoxyphenyl)sulfonylpyrrolidin-2-yl]pyrimidin-2-yl]-1,3-thiazol-2-amine
CID 95837680
(3S)-3-[5-[(4,6-dimethylpyrimidin-2-yl)amino]-2-pyridinyl]-N,N-dimethylpiperidine-1-sulfonamide
CID 95813591
N-[6-[(2S)-1-(3-fluoro-4-methylphenyl)sulfonylpyrrolidin-2-yl]-2-pyridinyl]-4,6-dimethylpyrimidin-2-amine
CID 95835259
5-[4-[1-(4-methoxyphenyl)sulfonylpyrrolidin-2-yl]-2-methylpyrimidin-5-yl]-3-methyl-1,2-oxazole
CID 110218456
2-[(2R)-2-[5-[(4,6-dimethylpyrimidin-2-yl)amino]-2-pyridinyl]pyrrolidin-1-yl]-N-(4-fluorophenyl)acetamide
CID 95813297
3-[(2S)-1-(4-methoxyphenyl)sulfonylpiperidin-2-yl]pyridine
CID 906684

Frequently Asked Questions

What is the IUPAC name of N-[6-[(2S)-1-(4-methoxyphenyl)sulfonylpyrrolidin-2-yl]-3-pyridinyl]-4,6-dimethylpyrimidin-2-amine?
The IUPAC name of N-[6-[(2S)-1-(4-methoxyphenyl)sulfonylpyrrolidin-2-yl]-3-pyridinyl]-4,6-dimethylpyrimidin-2-amine (CID 95813322) is N-[6-[(2S)-1-(4-methoxyphenyl)sulfonylpyrrolidin-2-yl]-3-pyridinyl]-4,6-dimethylpyrimidin-2-amine.
What is the SMILES notation for N-[6-[(2S)-1-(4-methoxyphenyl)sulfonylpyrrolidin-2-yl]-3-pyridinyl]-4,6-dimethylpyrimidin-2-amine?
The canonical SMILES for N-[6-[(2S)-1-(4-methoxyphenyl)sulfonylpyrrolidin-2-yl]-3-pyridinyl]-4,6-dimethylpyrimidin-2-amine is COc1ccc(S(=O)(=O)N2CCC[C@H]2c2ccc(Nc3nc(C)cc(C)n3)cn2)cc1.
What is the InChIKey of N-[6-[(2S)-1-(4-methoxyphenyl)sulfonylpyrrolidin-2-yl]-3-pyridinyl]-4,6-dimethylpyrimidin-2-amine?
The InChIKey is YEXLIDVOUFBZSR-NRFANRHFSA-N. The full InChI is InChI=1S/C22H25N5O3S/c1-15-13-16(2)25-22(24-15)26-17-6-11-20(23-14-17)21-5-4-12-27(21)31(28,29)19-9-7-18(30-3)8-10-19/h6-11,13-14,21H,4-5,12H2,1-3H3,(H,24,25,26)/t21-/m0/s1.
What are the key properties of N-[6-[(2S)-1-(4-methoxyphenyl)sulfonylpyrrolidin-2-yl]-3-pyridinyl]-4,6-dimethylpyrimidin-2-amine?
N-[6-[(2S)-1-(4-methoxyphenyl)sulfonylpyrrolidin-2-yl]-3-pyridinyl]-4,6-dimethylpyrimidin-2-amine has a molecular weight of 439.54 g/mol, XLogP of 3.77, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[(2S)-1-(4-methoxyphenyl)sulfonylpyrrolidin-2-yl]-3-pyridinyl]-4,6-dimethylpyrimidin-2-amine is sourced from PubChem (CID 95813322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).