N,N-dimethyl-2-[6-(pyrimidin-2-ylamino)-2-pyridinyl]pyrrolidine-1-sulfonamide

C15H20N6O2S — CID 110265114

IUPACN,N-dimethyl-2-[6-(pyrimidin-2-ylamino)-2-pyridinyl]pyrrolidine-1-sulfonamide
SMILESCN(C)S(=O)(=O)N1CCCC1c1cccc(Nc2ncccn2)n1
InChIInChI=1S/C15H20N6O2S/c1-20(2)24(22,23)21-11-4-7-13(21)12-6-3-8-14(18-12)19-15-16-9-5-10-17-15/h3,5-6,8-10,13H,4,7,11H2,1-2H3,(H,16,17,18,19)
InChIKeyCYZDVOQZKZXAPZ-UHFFFAOYSA-N
MW348.43 g/mol
LogP1.56
Rot. Bonds5

About N,N-dimethyl-2-[6-(pyrimidin-2-ylamino)-2-pyridinyl]pyrrolidine-1-sulfonamide

N,N-dimethyl-2-[6-(pyrimidin-2-ylamino)-2-pyridinyl]pyrrolidine-1-sulfonamide (PubChem CID 110265114) has the molecular formula C15H20N6O2S and a molecular weight of 348.43 g/mol. Its IUPAC name is N,N-dimethyl-2-[6-(pyrimidin-2-ylamino)-2-pyridinyl]pyrrolidine-1-sulfonamide.

Molecular Properties

Compound NameN,N-dimethyl-2-[6-(pyrimidin-2-ylamino)-2-pyridinyl]pyrrolidine-1-sulfonamide
PubChem CID110265114
Molecular FormulaC15H20N6O2S
Molecular Weight348.43 g/mol
Exact Mass348.14
IUPAC NameN,N-dimethyl-2-[6-(pyrimidin-2-ylamino)-2-pyridinyl]pyrrolidine-1-sulfonamide
SMILESCN(C)S(=O)(=O)N1CCCC1c1cccc(Nc2ncccn2)n1
InChIInChI=1S/C15H20N6O2S/c1-20(2)24(22,23)21-11-4-7-13(21)12-6-3-8-14(18-12)19-15-16-9-5-10-17-15/h3,5-6,8-10,13H,4,7,11H2,1-2H3,(H,16,17,18,19)
InChIKeyCYZDVOQZKZXAPZ-UHFFFAOYSA-N
XLogP1.56
TPSA91.32 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.43
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[6-[(2R)-1-(3-fluoro-4-methylphenyl)sulfonylpyrrolidin-2-yl]-2-pyridinyl]pyrimidin-2-amine
CID 95835256
N-[6-[1-(2,2-dimethylpropyl)pyrrolidin-2-yl]-2-pyridinyl]pyrimidin-2-amine
CID 110265076
N,N-dimethyl-2-[6-(2-methylpyrazol-3-yl)-2-pyridinyl]pyrrolidine-1-sulfonamide
CID 110101899
(2R)-N,N-dimethyl-2-[6-(2-methylimidazol-1-yl)-2-pyridinyl]pyrrolidine-1-sulfonamide
CID 95838692
4-[(2R)-1-methylsulfonylpiperidin-2-yl]-N-pyridin-2-ylpyrimidin-2-amine
CID 95837595
(3S)-3-[6-[(4,6-dimethylpyrimidin-2-yl)amino]-2-pyridinyl]-N,N-dimethylpiperidine-1-sulfonamide
CID 95835947
N-[6-[(2S)-1-(3-fluoro-4-methylphenyl)sulfonylpyrrolidin-2-yl]-2-pyridinyl]-4,6-dimethylpyrimidin-2-amine
CID 95835259
4,6-dimethyl-N-[6-[(2S)-1-(2-phenylethylsulfonyl)pyrrolidin-2-yl]-2-pyridinyl]pyrimidin-2-amine
CID 95835808
6-[(2R)-1-(4-fluorophenyl)sulfonylpyrrolidin-2-yl]-N-pyrimidin-2-ylpyrazin-2-amine
CID 95836223
(2R)-2-[6-[(3-fluorophenyl)methyl]-2-pyridinyl]-N,N-dimethylpyrrolidine-1-sulfonamide
CID 95818112
1-[(3S)-3-[6-(pyrimidin-2-ylamino)-2-pyridinyl]piperidin-1-yl]ethanone
CID 95835868
2-[[6-[(2S)-1-methylsulfonylpyrrolidin-2-yl]-2-pyridinyl]amino]ethanol
CID 95846391

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-[6-(pyrimidin-2-ylamino)-2-pyridinyl]pyrrolidine-1-sulfonamide?
The IUPAC name of N,N-dimethyl-2-[6-(pyrimidin-2-ylamino)-2-pyridinyl]pyrrolidine-1-sulfonamide (CID 110265114) is N,N-dimethyl-2-[6-(pyrimidin-2-ylamino)-2-pyridinyl]pyrrolidine-1-sulfonamide.
What is the SMILES notation for N,N-dimethyl-2-[6-(pyrimidin-2-ylamino)-2-pyridinyl]pyrrolidine-1-sulfonamide?
The canonical SMILES for N,N-dimethyl-2-[6-(pyrimidin-2-ylamino)-2-pyridinyl]pyrrolidine-1-sulfonamide is CN(C)S(=O)(=O)N1CCCC1c1cccc(Nc2ncccn2)n1.
What is the InChIKey of N,N-dimethyl-2-[6-(pyrimidin-2-ylamino)-2-pyridinyl]pyrrolidine-1-sulfonamide?
The InChIKey is CYZDVOQZKZXAPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N6O2S/c1-20(2)24(22,23)21-11-4-7-13(21)12-6-3-8-14(18-12)19-15-16-9-5-10-17-15/h3,5-6,8-10,13H,4,7,11H2,1-2H3,(H,16,17,18,19).
What are the key properties of N,N-dimethyl-2-[6-(pyrimidin-2-ylamino)-2-pyridinyl]pyrrolidine-1-sulfonamide?
N,N-dimethyl-2-[6-(pyrimidin-2-ylamino)-2-pyridinyl]pyrrolidine-1-sulfonamide has a molecular weight of 348.43 g/mol, XLogP of 1.56, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-[6-(pyrimidin-2-ylamino)-2-pyridinyl]pyrrolidine-1-sulfonamide is sourced from PubChem (CID 110265114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).