4-[1-(4-methoxyphenyl)sulfonylpyrrolidin-2-yl]-N-(5-methyl-2-pyridinyl)pyrimidin-2-amine

C21H23N5O3S — CID 110267288

IUPAC4-[1-(4-methoxyphenyl)sulfonylpyrrolidin-2-yl]-N-(5-methyl-2-pyridinyl)pyrimidin-2-amine
SMILESCOc1ccc(S(=O)(=O)N2CCCC2c2ccnc(Nc3ccc(C)cn3)n2)cc1
InChIInChI=1S/C21H23N5O3S/c1-15-5-10-20(23-14-15)25-21-22-12-11-18(24-21)19-4-3-13-26(19)30(27,28)17-8-6-16(29-2)7-9-17/h5-12,14,19H,3-4,13H2,1-2H3,(H,22,23,24,25)
InChIKeyWURADJMGDZMMHQ-UHFFFAOYSA-N
MW425.51 g/mol
LogP3.46
Rot. Bonds6

About 4-[1-(4-methoxyphenyl)sulfonylpyrrolidin-2-yl]-N-(5-methyl-2-pyridinyl)pyrimidin-2-amine

4-[1-(4-methoxyphenyl)sulfonylpyrrolidin-2-yl]-N-(5-methyl-2-pyridinyl)pyrimidin-2-amine (PubChem CID 110267288) has the molecular formula C21H23N5O3S and a molecular weight of 425.51 g/mol. Its IUPAC name is 4-[1-(4-methoxyphenyl)sulfonylpyrrolidin-2-yl]-N-(5-methyl-2-pyridinyl)pyrimidin-2-amine.

Molecular Properties

Compound Name4-[1-(4-methoxyphenyl)sulfonylpyrrolidin-2-yl]-N-(5-methyl-2-pyridinyl)pyrimidin-2-amine
PubChem CID110267288
Molecular FormulaC21H23N5O3S
Molecular Weight425.51 g/mol
Exact Mass425.15
IUPAC Name4-[1-(4-methoxyphenyl)sulfonylpyrrolidin-2-yl]-N-(5-methyl-2-pyridinyl)pyrimidin-2-amine
SMILESCOc1ccc(S(=O)(=O)N2CCCC2c2ccnc(Nc3ccc(C)cn3)n2)cc1
InChIInChI=1S/C21H23N5O3S/c1-15-5-10-20(23-14-15)25-21-22-12-11-18(24-21)19-4-3-13-26(19)30(27,28)17-8-6-16(29-2)7-9-17/h5-12,14,19H,3-4,13H2,1-2H3,(H,22,23,24,25)
InChIKeyWURADJMGDZMMHQ-UHFFFAOYSA-N
XLogP3.46
TPSA97.31 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.51
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[4-[(2S)-1-(4-methoxyphenyl)sulfonylpyrrolidin-2-yl]pyrimidin-2-yl]-1,3-thiazol-2-amine
CID 95837680
N-[6-[(2S)-1-(4-methoxyphenyl)sulfonylpyrrolidin-2-yl]-3-pyridinyl]-4,6-dimethylpyrimidin-2-amine
CID 95813322
4-[(3R)-1-(4-methoxyphenyl)sulfonylpiperidin-3-yl]-N-pyridin-2-ylpyrimidin-2-amine
CID 95837666
4-[(3S)-1-(4-methoxyphenyl)sulfonylpyrrolidin-3-yl]-N-pyridin-2-ylpyrimidin-2-amine
CID 125019478
4-[(2S)-1-(4-fluorophenyl)sulfonylpyrrolidin-2-yl]-N-pyrimidin-5-ylpyrimidin-2-amine
CID 95837660
4-[(2R)-1-methylsulfonylpiperidin-2-yl]-N-pyridin-2-ylpyrimidin-2-amine
CID 95837595
2-[1-(4-methoxyphenyl)sulfonylpyrrolidin-2-yl]-5-methyl-1H-imidazole
CID 110104512
6-[(2S)-1-(2-methoxy-5-methylphenyl)sulfonylpyrrolidin-2-yl]-N-pyrimidin-2-ylpyrazin-2-amine
CID 95836293
6-[(2R)-1-(4-fluorophenyl)sulfonylpyrrolidin-2-yl]-N-pyrimidin-2-ylpyrazin-2-amine
CID 95836223
N-[6-[(2R)-1-(3-fluoro-4-methylphenyl)sulfonylpyrrolidin-2-yl]-2-pyridinyl]pyrimidin-2-amine
CID 95835256
N-ethyl-5-[1-(4-methylphenyl)sulfonylpyrrolidin-2-yl]pyridin-2-amine
CID 102540039
(4-methoxyphenyl)-[1-(4-methylphenyl)sulfonylpyrrolidin-2-yl]methanone
CID 110394931

Frequently Asked Questions

What is the IUPAC name of 4-[1-(4-methoxyphenyl)sulfonylpyrrolidin-2-yl]-N-(5-methyl-2-pyridinyl)pyrimidin-2-amine?
The IUPAC name of 4-[1-(4-methoxyphenyl)sulfonylpyrrolidin-2-yl]-N-(5-methyl-2-pyridinyl)pyrimidin-2-amine (CID 110267288) is 4-[1-(4-methoxyphenyl)sulfonylpyrrolidin-2-yl]-N-(5-methyl-2-pyridinyl)pyrimidin-2-amine.
What is the SMILES notation for 4-[1-(4-methoxyphenyl)sulfonylpyrrolidin-2-yl]-N-(5-methyl-2-pyridinyl)pyrimidin-2-amine?
The canonical SMILES for 4-[1-(4-methoxyphenyl)sulfonylpyrrolidin-2-yl]-N-(5-methyl-2-pyridinyl)pyrimidin-2-amine is COc1ccc(S(=O)(=O)N2CCCC2c2ccnc(Nc3ccc(C)cn3)n2)cc1.
What is the InChIKey of 4-[1-(4-methoxyphenyl)sulfonylpyrrolidin-2-yl]-N-(5-methyl-2-pyridinyl)pyrimidin-2-amine?
The InChIKey is WURADJMGDZMMHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N5O3S/c1-15-5-10-20(23-14-15)25-21-22-12-11-18(24-21)19-4-3-13-26(19)30(27,28)17-8-6-16(29-2)7-9-17/h5-12,14,19H,3-4,13H2,1-2H3,(H,22,23,24,25).
What are the key properties of 4-[1-(4-methoxyphenyl)sulfonylpyrrolidin-2-yl]-N-(5-methyl-2-pyridinyl)pyrimidin-2-amine?
4-[1-(4-methoxyphenyl)sulfonylpyrrolidin-2-yl]-N-(5-methyl-2-pyridinyl)pyrimidin-2-amine has a molecular weight of 425.51 g/mol, XLogP of 3.46, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(4-methoxyphenyl)sulfonylpyrrolidin-2-yl]-N-(5-methyl-2-pyridinyl)pyrimidin-2-amine is sourced from PubChem (CID 110267288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).