N,N-dimethyl-3-[2-(pyridin-2-ylamino)pyrimidin-4-yl]pyrrolidine-1-sulfonamide

C15H20N6O2S — CID 118739994

IUPACN,N-dimethyl-3-[2-(pyridin-2-ylamino)pyrimidin-4-yl]pyrrolidine-1-sulfonamide
SMILESCN(C)S(=O)(=O)N1CCC(c2ccnc(Nc3ccccn3)n2)C1
InChIInChI=1S/C15H20N6O2S/c1-20(2)24(22,23)21-10-7-12(11-21)13-6-9-17-15(18-13)19-14-5-3-4-8-16-14/h3-6,8-9,12H,7,10-11H2,1-2H3,(H,16,17,18,19)
InChIKeyWTSBAPQWNDVMCG-UHFFFAOYSA-N
MW348.43 g/mol
LogP1.21
Rot. Bonds5

About N,N-dimethyl-3-[2-(pyridin-2-ylamino)pyrimidin-4-yl]pyrrolidine-1-sulfonamide

N,N-dimethyl-3-[2-(pyridin-2-ylamino)pyrimidin-4-yl]pyrrolidine-1-sulfonamide (PubChem CID 118739994) has the molecular formula C15H20N6O2S and a molecular weight of 348.43 g/mol. Its IUPAC name is N,N-dimethyl-3-[2-(pyridin-2-ylamino)pyrimidin-4-yl]pyrrolidine-1-sulfonamide.

Molecular Properties

Compound NameN,N-dimethyl-3-[2-(pyridin-2-ylamino)pyrimidin-4-yl]pyrrolidine-1-sulfonamide
PubChem CID118739994
Molecular FormulaC15H20N6O2S
Molecular Weight348.43 g/mol
Exact Mass348.14
IUPAC NameN,N-dimethyl-3-[2-(pyridin-2-ylamino)pyrimidin-4-yl]pyrrolidine-1-sulfonamide
SMILESCN(C)S(=O)(=O)N1CCC(c2ccnc(Nc3ccccn3)n2)C1
InChIInChI=1S/C15H20N6O2S/c1-20(2)24(22,23)21-10-7-12(11-21)13-6-9-17-15(18-13)19-14-5-3-4-8-16-14/h3-6,8-9,12H,7,10-11H2,1-2H3,(H,16,17,18,19)
InChIKeyWTSBAPQWNDVMCG-UHFFFAOYSA-N
XLogP1.21
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 ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-3-[2-(pyridin-2-ylamino)pyrimidin-4-yl]pyrrolidine-1-sulfonamide?
The IUPAC name of N,N-dimethyl-3-[2-(pyridin-2-ylamino)pyrimidin-4-yl]pyrrolidine-1-sulfonamide (CID 118739994) is N,N-dimethyl-3-[2-(pyridin-2-ylamino)pyrimidin-4-yl]pyrrolidine-1-sulfonamide.
What is the SMILES notation for N,N-dimethyl-3-[2-(pyridin-2-ylamino)pyrimidin-4-yl]pyrrolidine-1-sulfonamide?
The canonical SMILES for N,N-dimethyl-3-[2-(pyridin-2-ylamino)pyrimidin-4-yl]pyrrolidine-1-sulfonamide is CN(C)S(=O)(=O)N1CCC(c2ccnc(Nc3ccccn3)n2)C1.
What is the InChIKey of N,N-dimethyl-3-[2-(pyridin-2-ylamino)pyrimidin-4-yl]pyrrolidine-1-sulfonamide?
The InChIKey is WTSBAPQWNDVMCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N6O2S/c1-20(2)24(22,23)21-10-7-12(11-21)13-6-9-17-15(18-13)19-14-5-3-4-8-16-14/h3-6,8-9,12H,7,10-11H2,1-2H3,(H,16,17,18,19).
What are the key properties of N,N-dimethyl-3-[2-(pyridin-2-ylamino)pyrimidin-4-yl]pyrrolidine-1-sulfonamide?
N,N-dimethyl-3-[2-(pyridin-2-ylamino)pyrimidin-4-yl]pyrrolidine-1-sulfonamide has a molecular weight of 348.43 g/mol, XLogP of 1.21, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-3-[2-(pyridin-2-ylamino)pyrimidin-4-yl]pyrrolidine-1-sulfonamide is sourced from PubChem (CID 118739994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).